2-(5-acetylthiophen-3-yl)-N-[3-(furan-2-yl)propyl]acetamide

• ChemBase ID: 478462
• Molecular Formular: C15H17NO3S
• Molecular Mass: 291.36538
• Monoisotopic Mass: 291.09291441
• SMILES: c1(scc(c1)CC(=O)NCCCc1occc1)C(=O)C
• Canonical SMILES: O=C(Cc1csc(c1)C(=O)C)NCCCc1ccco1
• InChI: InChI=1S/C15H17NO3S/c1-11(17)14-8-12(10-20-14)9-15(18)16-6-2-4-13-5-3-7-19-13/h3,5,7-8,10H,2,4,6,9H2,1H3,(H,16,18)
• InChIKey: HUOLPWXSEDQRDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-acetylthiophen-3-yl)-N-[3-(furan-2-yl)propyl]acetamide
• IUPAC Traditional name: 2-(5-acetylthiophen-3-yl)-N-[3-(furan-2-yl)propyl]acetamide
• Synonyms: 2-(5-acetyl-3-thienyl)-N-[3-(2-furyl)propyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.552581
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8602986
• LogD (pH = 7.4): 1.8602986
• Log P: 1.8602986
• Molar Refractivity: 77.8907 cm^3
• Polarizability: 29.637634 Å^3
• Polar Surface Area: 59.31 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.36
• LOG S: -2.49
• Polar Surface Area: 59.31 Å^2
• Rotatable Bonds: 7