Glimepiride

C24H34N4O5SCAS 93479-97-1490.62 g/mol

Open in Covalent MOL file
NONHSOONHONHO
AlkeneAmideLactamSulfonamideUrea

Properties

Molecular formula
C24H34N4O5S
Molar mass
490.62 g/mol
Exact mass
490.2250 Da
Melting point
212.5 °C
logP
3.07Crippen estimate
Polar surface area
124.7 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
7
Stereocentres
r, rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
93479-97-1
SMILES
CCC1=C(C)CN(C(=O)NCCC2=CC=C(S(=O)(=O)NC(=O)N[C@H]3CC[C@H](C)CC3)C=C2)C1=O
InChIKey
WIGIZIANZCJQQY-RUCARUNLSA-N
InChI
InChI=1S/C24H34N4O5S/c1-4-21-17(3)15-28(22(21)29)24(31)25-14-13-18-7-11-20(12-8-18)34(32,33)27-23(30)26-19-9-5-16(2)6-10-19/h7-8,11-12,16,19H,4-6,9-10,13-15H2,1-3H3,(H,25,31)(H2,26,27,30)/t16-,19-
Characterization data

Calculated from the structure, in the form journals print them.

¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 7.89 (d, J = 7.7 Hz, 2H), 7.43 (d, J = 7.7 Hz, 2H), 5.00 (br t, J = 5.0 Hz, 1H), 5.00 (br s, 1H), 5.00 (br d, J = 5.0 Hz, 1H), 4.19 (s, 2H), 3.93 (m, J = 7.0, 5.0 Hz, 1H), 3.63 (td, J = 7.0, 5.0 Hz, 2H), 2.91 (t, J = 7.0 Hz, 2H), 2.04 (q, J = 7.0 Hz, 2H), 1.71 (s, 3H), 1.71 (q, J = 7.0 Hz, 4H), 1.43 (m, J = 7.0 Hz, 4H), 1.43 (m, J = 7.0 Hz, 1H), 0.96 (t, J = 7.0 Hz, 3H), 0.86 (d, J = 7.0 Hz, 3H).
¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 169.0, 158.6, 158.6, 149.2, 142.3, 137.9, 128.6, 127.9, 126.9, 56.0, 51.9, 44.4, 40.2, 32.9, 32.9, 32.9, 26.3, 19.8, 17.2, 13.7.
[M + H]+
[M + H]+ Calcd for C24H35N4O5S 491.2323
[M + Na]+
[M + Na]+ Calcd for C24H34N4NaO5S 513.2142
[M − H]−
[M − H]− Calcd for C24H33N4O5S 489.2177
Elemental analysis
Anal. Calcd for C24H34N4O5S: C, 58.76; H, 6.99; N, 11.42; S, 6.53.

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Names and synonyms

14 names · show all
  • 3-Ethyl-2,5-dihydro-4-methyl-N-[2-[4-[[[[(trans-4-methylcyclohexyl)amino]carbonyl]amino]sulfonyl]phenyl]ethyl]-2-oxo-1H-pyrrole-1-carboxamide
  • 1H-Pyrrole-1-carboxamide, 3-ethyl-2,5-dihydro-4-methyl-N-[2-[4-[[[[(trans-4-methylcyclohexyl)amino]carbonyl]amino]sulfonyl]phenyl]ethyl]-2-oxo-
  • 1H-Pyrrole-1-carboxamide, 3-ethyl-2,5-dihydro-4-methyl-N-[2-[4-[[[[(4-methylcyclohexyl)amino]carbonyl]amino]sulfonyl]phenyl]ethyl]-2-oxo-, trans-
  • HOE 490
  • Amaryl
  • trans-3-Ethyl-2,5-dihydro-4-methyl-N-[2-[4-[[[[(4-methylcyclohexyl)amino]carbonyl]amino]sulfonyl]phenyl]ethyl] 2-oxo-1H-pyrrole-1-carboxamide
  • Glimperide
  • Glirid
  • Diameprid
  • Glimax
  • Limeral
  • Dibiglim
  • GlucoNovax
  • ZINC 537791

Work with Glimepiride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N-[2-[4-(Aminosulfonyl)phenyl]ethyl]-3-ethyl-2,5-dihydro-4-methyl-2-oxo-1H-pyrrole-1-carboxamide119018-29-059 % similar Glipizide29094-61-943 % similar Acetohexamide968-81-040 % similar Glibenclamide10238-21-840 % similar Gliquidone33342-05-137 % similar Chlorpropamide94-20-233 % similar Tolbutamide64-77-732 % similar Grapiprant415903-37-631 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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