2-(5-acetylthiophen-3-yl)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]acetamide

• ChemBase ID: 775847
• Molecular Formular: C18H22N2O2S2
• Molecular Mass: 362.50948
• Monoisotopic Mass: 362.11226995
• SMILES: c1(scc(c1)CC(=O)NC1CN(Cc2sccc2)CCC1)C(=O)C
• Canonical SMILES: O=C(Cc1csc(c1)C(=O)C)NC1CCCN(C1)Cc1cccs1
• InChI: InChI=1S/C18H22N2O2S2/c1-13(21)17-8-14(12-24-17)9-18(22)19-15-4-2-6-20(10-15)11-16-5-3-7-23-16/h3,5,7-8,12,15H,2,4,6,9-11H2,1H3,(H,19,22)
• InChIKey: WJUDLBSSJGMWFT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-acetylthiophen-3-yl)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]acetamide
• IUPAC Traditional name: 2-(5-acetylthiophen-3-yl)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]acetamide
• Synonyms: 2-(5-acetyl-3-thienyl)-N-[1-(2-thienylmethyl)piperidin-3-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.699346
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.7674581
• LogD (pH = 7.4): 2.3403213
• Log P: 2.6198199
• Molar Refractivity: 98.11 cm^3
• Polarizability: 37.732437 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.38
• LOG S: -3.02
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 6