N-(furan-2-ylmethyl)-N-methyl-5-[1-(oxan-4-yl)pyrrolidin-2-yl]thiophene-2-carboxamide

• ChemBase ID: 584969
• Molecular Formular: C20H26N2O3S
• Molecular Mass: 374.49704
• Monoisotopic Mass: 374.1664137
• SMILES: c1(sc(C2N(C3CCOCC3)CCC2)cc1)C(=O)N(Cc1occc1)C
• Canonical SMILES: O=C(c1ccc(s1)C1CCCN1C1CCOCC1)N(Cc1ccco1)C
• InChI: InChI=1S/C20H26N2O3S/c1-21(14-16-4-3-11-25-16)20(23)19-7-6-18(26-19)17-5-2-10-22(17)15-8-12-24-13-9-15/h3-4,6-7,11,15,17H,2,5,8-10,12-14H2,1H3
• InChIKey: FUBMMMZIRBGMBQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(furan-2-ylmethyl)-N-methyl-5-[1-(oxan-4-yl)pyrrolidin-2-yl]thiophene-2-carboxamide
• IUPAC Traditional name: N-(furan-2-ylmethyl)-N-methyl-5-[1-(oxan-4-yl)pyrrolidin-2-yl]thiophene-2-carboxamide
• Synonyms: N-(2-furylmethyl)-N-methyl-5-[1-(tetrahydro-2H-pyran-4-yl)-2-pyrrolidinyl]-2-thiophenecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.6717885
• LogD (pH = 7.4): 0.9699197
• Log P: 2.4694262
• Molar Refractivity: 102.8367 cm^3
• Polarizability: 39.32451 Å^3
• Polar Surface Area: 45.92 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.75
• LOG S: -3.42
• Polar Surface Area: 45.92 Å^2
• Rotatable Bonds: 5