N-cyclopropyl-4-methoxy-3-({[1-(thiophen-3-yl)propan-2-yl]carbamoyl}amino)benzamide

• ChemBase ID: 593033
• Molecular Formular: C19H23N3O3S
• Molecular Mass: 373.46922
• Monoisotopic Mass: 373.14601261
• SMILES: C(=O)(Nc1cc(C(=O)NC2CC2)ccc1OC)NC(Cc1cscc1)C
• Canonical SMILES: COc1ccc(cc1NC(=O)NC(Cc1cscc1)C)C(=O)NC1CC1
• InChI: InChI=1S/C19H23N3O3S/c1-12(9-13-7-8-26-11-13)20-19(24)22-16-10-14(3-6-17(16)25-2)18(23)21-15-4-5-15/h3,6-8,10-12,15H,4-5,9H2,1-2H3,(H,21,23)(H2,20,22,24)
• InChIKey: LJKNCLFJYIXYRS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-4-methoxy-3-({[1-(thiophen-3-yl)propan-2-yl]carbamoyl}amino)benzamide
• IUPAC Traditional name: N-cyclopropyl-4-methoxy-3-({[1-(thiophen-3-yl)propan-2-yl]carbamoyl}amino)benzamide
• Synonyms: N-cyclopropyl-4-methoxy-3-[({[1-methyl-2-(3-thienyl)ethyl]amino}carbonyl)amino]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.801617
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 2.693447
• LogD (pH = 7.4): 2.6934314
• Log P: 2.6934476
• Molar Refractivity: 103.0361 cm^3
• Polarizability: 38.450077 Å^3
• Polar Surface Area: 79.46 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: 2.83
• LOG S: -4.34
• Polar Surface Area: 79.46 Å^2
• Rotatable Bonds: 7