Molecule ID: 4057195

IUPAC Name: N-carbamoyl-2-(triphenyl-lambda5-phosphanylidene)acetamide

Description: The molecule is a phosphonium ylide that is 2-(triphenylphosphoranylidene)acetamide in which the nitrogen has been converted to the corresponding carbamoyl derivative. By targeting the beta-subunit of fatty acid synthase, it inhibits nuclear envelope expansion and nuclear elongation during the closed mitosis of fission yeast. It has a role as an EC 2.3.1.85 (fatty acid synthase) inhibitor. It is a N-acylurea and a phosphonium ylide.

SMILES: N=C(O)N=C(O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1

SELFIES: [N][=C][Branch1][C][O][N][=C][Branch1][C][O][C][=P][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]

InChI: InChI=1S/C21H19N2O2P/c22-21(25)23-20(24)16-26(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16H,(H3,22,23,24,25)

Molecular Properties:
- Polar Surface Area: 72.2 Ų
- LogP: 3.2