Molecule ID: 60712

IUPAC Name: 5-chloro-2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carboxamide

Description: The molecule is a member of indoles, a member of ureas, a member of thiophenes and an organochlorine compound. It has a role as a non-steroidal anti-inflammatory drug and an EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor.

SMILES: N=C(O)n1c(O)c(C(=O)c2cccs2)c2cc(Cl)ccc21

SELFIES: [N][=C][Branch1][C][O][N][C][Branch1][C][O][=C][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring2][Ring1][C]

InChI: InChI=1S/C14H9ClN2O3S/c15-7-3-4-9-8(6-7)11(13(19)17(9)14(16)20)12(18)10-2-1-5-21-10/h1-6,19H,(H2,16,20)

Molecular Properties:
- Polar Surface Area: 114.0 Ų
- LogP: 3.8