chempirical

N-[2-[4-(Aminosulfonyl)phenyl]ethyl]-3-ethyl-2,5-dihydro-4-methyl-2-oxo-1H-pyrrole-1-carboxamide

C16H21N3O4SCAS 119018-29-0351.42 g/mol

Open in Covalent MOL file
NOHNSNH2OOO
AlkeneAmideLactamSulfonamide

Properties

Molecular formula
C16H21N3O4S
Molar mass
351.42 g/mol
Exact mass
351.1253 Da
logP
1.36Crippen estimate
Polar surface area
113.1 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
5

Identifiers

CAS number
119018-29-0
SMILES
CCC1=C(C)CN(C(O)=NCCc2ccc(S(N)(=O)=O)cc2)C1=O
InChIKey
AJEMFZRCUKJSES-UHFFFAOYSA-N
InChI
InChI=1S/C16H21N3O4S/c1-3-14-11(2)10-19(15(14)20)16(21)18-9-8-12-4-6-13(7-5-12)24(17,22)23/h4-7H,3,8-10H2,1-2H3,(H,18,21)(H2,17,22,23)

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Names and synonyms

2 names
  • 1H-Pyrrole-1-carboxamide, N-[2-[4-(aminosulfonyl)phenyl]ethyl]-3-ethyl-2,5-dihydro-4-methyl-2-oxo-
  • 4-[2-[(3-Ethyl-4-methyl-2-oxo-3-pyrrolin-1-yl)carboxamido]ethyl]benzenesulfonamide

Work with N-[2-[4-(Aminosulfonyl)phenyl]ethyl]-3-ethyl-2,5-dihydro-4-methyl-2-oxo-1H-pyrrole-1-carboxamide

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

Glimepiride93479-97-160 % similar N-[2-[4-(Aminosulfonyl)phenyl]ethyl]acetamide41472-49-553 % similar 4-[2-(5-Methylpyrazine-2-carboxamido)ethyl]benzenesulfonamide33288-71-045 % similar Mafenide acetate13009-99-940 % similar N-[2-[4-(Aminosulfonyl)phenyl]ethyl]-5-chloro-2-methoxybenzamide16673-34-039 % similar 4-N-Butylbenzenesulfonamide1135-00-838 % similar 4-Ethylbenzenesulfonamide138-38-537 % similar Acetylsulfanilamide121-61-936 % similar

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

Elsewhere

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