N-cyclopentyl-1-cyclopropyl-5-oxo-N-(thiophen-3-ylmethyl)pyrrolidine-3-carboxamide

• ChemBase ID: 452384
• Molecular Formular: C18H24N2O2S
• Molecular Mass: 332.46036
• Monoisotopic Mass: 332.15584902
• SMILES: N1(C(=O)CC(C(=O)N(Cc2cscc2)C2CCCC2)C1)C1CC1
• Canonical SMILES: O=C(N(C1CCCC1)Cc1cscc1)C1CC(=O)N(C1)C1CC1
• InChI: InChI=1S/C18H24N2O2S/c21-17-9-14(11-19(17)16-5-6-16)18(22)20(15-3-1-2-4-15)10-13-7-8-23-12-13/h7-8,12,14-16H,1-6,9-11H2
• InChIKey: ABPVRGHMESMEFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-1-cyclopropyl-5-oxo-N-(thiophen-3-ylmethyl)pyrrolidine-3-carboxamide
• IUPAC Traditional name: N-cyclopentyl-1-cyclopropyl-5-oxo-N-(thiophen-3-ylmethyl)pyrrolidine-3-carboxamide
• Synonyms: N-cyclopentyl-1-cyclopropyl-5-oxo-N-(3-thienylmethyl)-3-pyrrolidinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9883093
• LogD (pH = 7.4): 1.9883097
• Log P: 1.9883097
• Molar Refractivity: 90.1989 cm^3
• Polarizability: 35.00733 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 1.79
• LOG S: -3.15
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 5