N-methyl-N-{1-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]-2-phenylethyl}thiophene-3-carboxamide

• ChemBase ID: 403464
• Molecular Formular: C24H27N3O3S
• Molecular Mass: 437.55448
• Monoisotopic Mass: 437.17731274
• SMILES: c1(C(=O)N2CCC(C(N(C(=O)c3cscc3)C)Cc3ccccc3)CC2)c(nco1)C
• Canonical SMILES: O=C(N(C(C1CCN(CC1)C(=O)c1ocnc1C)Cc1ccccc1)C)c1ccsc1
• InChI: InChI=1S/C24H27N3O3S/c1-17-22(30-16-25-17)24(29)27-11-8-19(9-12-27)21(14-18-6-4-3-5-7-18)26(2)23(28)20-10-13-31-15-20/h3-7,10,13,15-16,19,21H,8-9,11-12,14H2,1-2H3
• InChIKey: SNANGMAIIZPYIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-{1-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]-2-phenylethyl}thiophene-3-carboxamide
• IUPAC Traditional name: N-methyl-N-{1-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]-2-phenylethyl}thiophene-3-carboxamide
• Synonyms: N-methyl-N-(1-{1-[(4-methyl-1,3-oxazol-5-yl)carbonyl]-4-piperidinyl}-2-phenylethyl)-3-thiophenecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.6863196
• LogD (pH = 7.4): 2.6863198
• Log P: 2.6863198
• Molar Refractivity: 121.4626 cm^3
• Polarizability: 45.626987 Å^3
• Polar Surface Area: 66.65 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.93
• LOG S: -4.76
• Polar Surface Area: 66.65 Å^2
• Rotatable Bonds: 6