Molecule ID: 71657865

IUPAC Name: 3-methyl-N-[2-methyl-1-(2-methyl-4-propan-2-yloxyphenyl)-1-oxopropan-2-yl]thiophene-2-carboxamide

Description: The molecule is an aromatic amide obtained by formal condensation of the carboxy group of 3-methylthiophene-2-carboxylic acid with the amino group of 2-amino-1-(4-isopropoxy-2-methylphenyl)-2-methylpropan-1-one. It has a role as an EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor and an antifungal agrochemical. It is an aromatic ether, an aromatic amide, a member of thiophenes, an aromatic ketone and an amide fungicide.

SMILES: Cc1cc(OC(C)C)ccc1C(=O)C(C)(C)N=C(O)c1sccc1C

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

InChI: InChI=1S/C20H25NO3S/c1-12(2)24-15-7-8-16(14(4)11-15)18(22)20(5,6)21-19(23)17-13(3)9-10-25-17/h7-12H,1-6H3,(H,21,23)

Molecular Properties:
- Polar Surface Area: 83.6 Ų
- LogP: 4.7