N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-3-(thiophen-3-yl)propanamide

• ChemBase ID: 584549
• Molecular Formular: C19H24N2OS
• Molecular Mass: 328.47166
• Monoisotopic Mass: 328.1609344
• SMILES: N1(CC(CN(C(=O)CCc2cscc2)C)CC1)c1ccccc1
• Canonical SMILES: O=C(N(CC1CCN(C1)c1ccccc1)C)CCc1cscc1
• InChI: InChI=1S/C19H24N2OS/c1-20(19(22)8-7-16-10-12-23-15-16)13-17-9-11-21(14-17)18-5-3-2-4-6-18/h2-6,10,12,15,17H,7-9,11,13-14H2,1H3
• InChIKey: JKVUSPKXMCTKHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-3-(thiophen-3-yl)propanamide
• IUPAC Traditional name: N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-3-(thiophen-3-yl)propanamide
• Synonyms: N-methyl-N-[(1-phenyl-3-pyrrolidinyl)methyl]-3-(3-thienyl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.3004112
• LogD (pH = 7.4): 3.449652
• Log P: 3.4519293
• Molar Refractivity: 96.7558 cm^3
• Polarizability: 36.76409 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 1
• H Donor: 0
• Log P: 2.97
• LOG S: -4.13
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 6