N-(furan-3-ylmethyl)-2-[(1-methanesulfonylpiperidin-4-yl)oxy]benzamide

• ChemBase ID: 340522
• Molecular Formular: C18H22N2O5S
• Molecular Mass: 378.44268
• Monoisotopic Mass: 378.12494281
• SMILES: S(=O)(=O)(N1CCC(Oc2c(C(=O)NCc3cocc3)cccc2)CC1)C
• Canonical SMILES: O=C(c1ccccc1OC1CCN(CC1)S(=O)(=O)C)NCc1cocc1
• InChI: InChI=1S/C18H22N2O5S/c1-26(22,23)20-9-6-15(7-10-20)25-17-5-3-2-4-16(17)18(21)19-12-14-8-11-24-13-14/h2-5,8,11,13,15H,6-7,9-10,12H2,1H3,(H,19,21)
• InChIKey: JQSNDHITIXPMAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(furan-3-ylmethyl)-2-[(1-methanesulfonylpiperidin-4-yl)oxy]benzamide
• IUPAC Traditional name: N-(furan-3-ylmethyl)-2-[(1-methanesulfonylpiperidin-4-yl)oxy]benzamide
• Synonyms: N-(3-furylmethyl)-2-{[1-(methylsulfonyl)piperidin-4-yl]oxy}benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.995926
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.50334877
• LogD (pH = 7.4): 0.5033487
• Log P: 0.5033488
• Molar Refractivity: 96.9456 cm^3
• Polarizability: 37.839306 Å^3
• Polar Surface Area: 88.85 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.81
• LOG S: -3.5
• Polar Surface Area: 88.85 Å^2
• Rotatable Bonds: 5