N-methyl-N-(2-phenyl-1-{1-[2-(1,3-thiazol-4-yl)acetyl]piperidin-4-yl}ethyl)thiophene-2-carboxamide

• ChemBase ID: 467531
• Molecular Formular: C24H27N3O2S2
• Molecular Mass: 453.62008
• Monoisotopic Mass: 453.15446912
• SMILES: C(=O)(N(C(C1CCN(C(=O)Cc2ncsc2)CC1)Cc1ccccc1)C)c1sccc1
• Canonical SMILES: O=C(N1CCC(CC1)C(N(C(=O)c1cccs1)C)Cc1ccccc1)Cc1cscn1
• InChI: InChI=1S/C24H27N3O2S2/c1-26(24(29)22-8-5-13-31-22)21(14-18-6-3-2-4-7-18)19-9-11-27(12-10-19)23(28)15-20-16-30-17-25-20/h2-8,13,16-17,19,21H,9-12,14-15H2,1H3
• InChIKey: JFXNCLIWPSBPND-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-(2-phenyl-1-{1-[2-(1,3-thiazol-4-yl)acetyl]piperidin-4-yl}ethyl)thiophene-2-carboxamide
• IUPAC Traditional name: N-methyl-N-(2-phenyl-1-{1-[2-(1,3-thiazol-4-yl)acetyl]piperidin-4-yl}ethyl)thiophene-2-carboxamide
• Synonyms: N-methyl-N-{2-phenyl-1-[1-(1,3-thiazol-4-ylacetyl)-4-piperidinyl]ethyl}-2-thiophenecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.8501058
• LogD (pH = 7.4): 3.8503027
• Log P: 3.850305
• Molar Refractivity: 124.9561 cm^3
• Polarizability: 47.700222 Å^3
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.61
• LOG S: -4.55
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 7