N-(furan-3-ylmethyl)-5-(pyrrolidin-2-yl)thiophene-2-carboxamide

• ChemBase ID: 685571
• Molecular Formular: C14H16N2O2S
• Molecular Mass: 276.35404
• Monoisotopic Mass: 276.09324876
• SMILES: s1c(C(=O)NCc2cocc2)ccc1C1NCCC1
• Canonical SMILES: O=C(c1ccc(s1)C1CCCN1)NCc1cocc1
• InChI: InChI=1S/C14H16N2O2S/c17-14(16-8-10-5-7-18-9-10)13-4-3-12(19-13)11-2-1-6-15-11/h3-5,7,9,11,15H,1-2,6,8H2,(H,16,17)
• InChIKey: LTFZSDYRQDBZSP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(furan-3-ylmethyl)-5-(pyrrolidin-2-yl)thiophene-2-carboxamide
• IUPAC Traditional name: N-(furan-3-ylmethyl)-5-(pyrrolidin-2-yl)thiophene-2-carboxamide
• Synonyms: N-(3-furylmethyl)-5-(2-pyrrolidinyl)-2-thiophenecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.817381
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.1825593
• LogD (pH = 7.4): -0.043567326
• Log P: 1.9815149
• Molar Refractivity: 74.2923 cm^3
• Polarizability: 28.314451 Å^3
• Polar Surface Area: 54.27 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.64
• LOG S: -2.61
• Polar Surface Area: 54.27 Å^2
• Rotatable Bonds: 4