Molecule ID: 503535

IUPAC Name: 3-[(4-methylbenzoyl)-propan-2-ylamino]-5-phenylthiophene-2-carboxylic acid

Description: The molecule is an amido thiophene-2-carboxylic acid derivative used as an inhibitor of HCV (Hepatitis C Virus) RNA polymerase. It has a role as an EC 2.7.7.6 (RNA polymerase) inhibitor. It is a member of thiophenes and a monocarboxylic acid amide.

SMILES: Cc1ccc(C(=O)N(c2cc(-c3ccccc3)sc2C(=O)O)C(C)C)cc1

SELFIES: [C][C][=C][C][=C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][Branch2][Ring1][#Branch1][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=Ring1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][=C][Ring2][Ring1][#Branch2]

InChI: InChI=1S/C22H21NO3S/c1-14(2)23(21(24)17-11-9-15(3)10-12-17)18-13-19(27-20(18)22(25)26)16-7-5-4-6-8-16/h4-14H,1-3H3,(H,25,26)

Molecular Properties:
- Polar Surface Area: 85.8 Ų
- LogP: 5.3