N-[2-(3-methoxyphenyl)-1-[1-(3-phenylpropanoyl)piperidin-4-yl]ethyl]-N-methylthiophene-3-carboxamide

• ChemBase ID: 323603
• Molecular Formular: C29H34N2O3S
• Molecular Mass: 490.65686
• Monoisotopic Mass: 490.22901396
• SMILES: C(=O)(c1cscc1)N(C(Cc1cc(OC)ccc1)C1CCN(C(=O)CCc2ccccc2)CC1)C
• Canonical SMILES: COc1cccc(c1)CC(N(C(=O)c1ccsc1)C)C1CCN(CC1)C(=O)CCc1ccccc1
• InChI: InChI=1S/C29H34N2O3S/c1-30(29(33)25-15-18-35-21-25)27(20-23-9-6-10-26(19-23)34-2)24-13-16-31(17-14-24)28(32)12-11-22-7-4-3-5-8-22/h3-10,15,18-19,21,24,27H,11-14,16-17,20H2,1-2H3
• InChIKey: RPXXALWRECDSES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(3-methoxyphenyl)-1-[1-(3-phenylpropanoyl)piperidin-4-yl]ethyl]-N-methylthiophene-3-carboxamide
• IUPAC Traditional name: N-[2-(3-methoxyphenyl)-1-[1-(3-phenylpropanoyl)piperidin-4-yl]ethyl]-N-methylthiophene-3-carboxamide
• Synonyms: N-{2-(3-methoxyphenyl)-1-[1-(3-phenylpropanoyl)-4-piperidinyl]ethyl}-N-methyl-3-thiophenecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.9601197
• LogD (pH = 7.4): 4.96012
• Log P: 4.96012
• Molar Refractivity: 141.3998 cm^3
• Polarizability: 54.263298 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.55
• LOG S: -5.85
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 8