chempirical

Grapiprant

C26H29N5O3SCAS 415903-37-6491.61 g/mol

Open in Covalent MOL file
NNNNHONHSOO
Sulfonamide

Properties

Molecular formula
C26H29N5O3S
Molar mass
491.61 g/mol
Exact mass
491.1991 Da
logP
4.34Crippen estimate
Polar surface area
109.5 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
7

Identifiers

CAS number
415903-37-6
SMILES
CCc1nc2c(C)nc(C)cc2n1-c1ccc(CCN=C(O)NS(=O)(=O)c2ccc(C)cc2)cc1
InChIKey
HZVLFTCYCLXTGV-UHFFFAOYSA-N
InChI
InChI=1S/C26H29N5O3S/c1-5-24-29-25-19(4)28-18(3)16-23(25)31(24)21-10-8-20(9-11-21)14-15-27-26(32)30-35(33,34)22-12-6-17(2)7-13-22/h6-13,16H,5,14-15H2,1-4H3,(H2,27,30,32)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names
  • Benzenesulfonamide, N-[[[2-[4-(2-ethyl-4,6-dimethyl-1H-imidazo[4,5-c]pyridin-1-yl)phenyl]ethyl]amino]carbonyl]-4-methyl-
  • N-[[[2-[4-(2-Ethyl-4,6-dimethyl-1H-imidazo[4,5-c]pyridin-1-yl)phenyl]ethyl]amino]carbonyl]-4-methylbenzenesulfonamide
  • 2-Ethyl-4,6-dimethyl-1-[4-[2-[[[[(4-methylphenyl)sulfonyl]amino]carbonyl]amino]ethyl]phenyl]-1H-imidazo[4,5-c]pyridine
  • CJ 023423
  • AAT 007
  • RQ 00000007
  • RQ 7
  • MR 10A7
  • 1-[2-[4-(2-Ethyl-4,6-dimethylimidazo[4,5-c]pyridin-1-yl)phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea
  • Galliprant

Work with Grapiprant

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

Tolbutamide64-77-747 % similar Glipizide29094-61-939 % similar Chlorpropamid94-20-238 % similar Tolazamide1156-19-037 % similar Gliclazide21187-98-437 % similar 4-Methyl-N-[[[3-[[(4-methylphenyl)sulfonyl]oxy]phenyl]amino]carbonyl]benzenesulfonamide232938-43-134 % similar Glimepiride93479-97-133 % similar Tosylurea1694-06-032 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook