N-[2-(2-fluorophenyl)-1-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]ethyl]-N-methylthiophene-2-carboxamide

• ChemBase ID: 398318
• Molecular Formular: C27H35FN2O2S
• Molecular Mass: 470.6424032
• Monoisotopic Mass: 470.24032759
• SMILES: C(=O)(N(C(Cc1c(F)cccc1)C1CCN(C(=O)C2(C)CCCCC2)CC1)C)c1sccc1
• Canonical SMILES: O=C(N(C(C1CCN(CC1)C(=O)C1(C)CCCCC1)Cc1ccccc1F)C)c1cccs1
• InChI: InChI=1S/C27H35FN2O2S/c1-27(14-6-3-7-15-27)26(32)30-16-12-20(13-17-30)23(19-21-9-4-5-10-22(21)28)29(2)25(31)24-11-8-18-33-24/h4-5,8-11,18,20,23H,3,6-7,12-17,19H2,1-2H3
• InChIKey: CLHHKSLMWJFURY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(2-fluorophenyl)-1-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]ethyl]-N-methylthiophene-2-carboxamide
• IUPAC Traditional name: N-[2-(2-fluorophenyl)-1-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]ethyl]-N-methylthiophene-2-carboxamide
• Synonyms: N-(2-(2-fluorophenyl)-1-{1-[(1-methylcyclohexyl)carbonyl]-4-piperidinyl}ethyl)-N-methyl-2-thiophenecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.7835355
• LogD (pH = 7.4): 5.7835407
• Log P: 5.7835407
• Molar Refractivity: 131.3174 cm^3
• Polarizability: 50.301117 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 4.23
• LOG S: -5.21
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 6