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

• ChemBase ID: 687238
• Molecular Formular: C17H24N2O5S
• Molecular Mass: 368.44786
• Monoisotopic Mass: 368.14059288
• SMILES: S(=O)(=O)(N1CCC(Oc2c(C(=O)NC3CCOC3)cccc2)CC1)C
• Canonical SMILES: O=C(c1ccccc1OC1CCN(CC1)S(=O)(=O)C)NC1COCC1
• InChI: InChI=1S/C17H24N2O5S/c1-25(21,22)19-9-6-14(7-10-19)24-16-5-3-2-4-15(16)17(20)18-13-8-11-23-12-13/h2-5,13-14H,6-12H2,1H3,(H,18,20)
• InChIKey: WGQBKEVSJMKIKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(1-methanesulfonylpiperidin-4-yl)oxy]-N-(oxolan-3-yl)benzamide
• IUPAC Traditional name: 2-[(1-methanesulfonylpiperidin-4-yl)oxy]-N-(oxolan-3-yl)benzamide
• Synonyms: 2-{[1-(methylsulfonyl)-4-piperidinyl]oxy}-N-(tetrahydro-3-furanyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.20868
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.46014354
• LogD (pH = 7.4): -0.4601435
• Log P: -0.46014345
• Molar Refractivity: 93.4297 cm^3
• Polarizability: 36.880554 Å^3
• Polar Surface Area: 84.94 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 0.27
• LOG S: -3.4
• Polar Surface Area: 84.94 Å^2
• Rotatable Bonds: 4