Molecule ID: 11419598

IUPAC Name: 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-4-formamido-N,N-dimethylbenzamide

Description: The molecule is a member of the class of benzamides that is N,N-dimethylbenzamide substituted by a formylamino group at position 4 and a [(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamoyl group at position 2. It has a role as a xenobiotic, an environmental contaminant and a herbicide. It is a sulfonamide, a member of pyrimidines, an aromatic ether, a member of ureas and a member of benzamides.

SMILES: COc1cc(OC)nc(N=C(O)NS(=O)(=O)c2cc(N=CO)ccc2C(=O)N(C)C)n1

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

InChI: InChI=1S/C17H20N6O7S/c1-23(2)15(25)11-6-5-10(18-9-24)7-12(11)31(27,28)22-17(26)21-16-19-13(29-3)8-14(20-16)30-4/h5-9H,1-4H3,(H,18,24)(H2,19,20,21,22,26)

Molecular Properties:
- Polar Surface Area: 177.0 Ų
- LogP: 0.5