2-[(1-methanesulfonylpiperidin-4-yl)oxy]-N-(2-methoxyethyl)-N-(propan-2-yl)benzamide

• ChemBase ID: 324226
• Molecular Formular: C19H30N2O5S
• Molecular Mass: 398.5169
• Monoisotopic Mass: 398.18754307
• SMILES: S(=O)(=O)(N1CCC(Oc2c(C(=O)N(C(C)C)CCOC)cccc2)CC1)C
• Canonical SMILES: COCCN(C(=O)c1ccccc1OC1CCN(CC1)S(=O)(=O)C)C(C)C
• InChI: InChI=1S/C19H30N2O5S/c1-15(2)21(13-14-25-3)19(22)17-7-5-6-8-18(17)26-16-9-11-20(12-10-16)27(4,23)24/h5-8,15-16H,9-14H2,1-4H3
• InChIKey: QRZGELZBUBFDLB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(1-methanesulfonylpiperidin-4-yl)oxy]-N-(2-methoxyethyl)-N-(propan-2-yl)benzamide
• IUPAC Traditional name: N-isopropyl-2-[(1-methanesulfonylpiperidin-4-yl)oxy]-N-(2-methoxyethyl)benzamide
• Synonyms: N-isopropyl-N-(2-methoxyethyl)-2-{[1-(methylsulfonyl)-4-piperidinyl]oxy}benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.58871365
• LogD (pH = 7.4): 0.5887137
• Log P: 0.5887137
• Molar Refractivity: 104.9272 cm^3
• Polarizability: 41.258854 Å^3
• Polar Surface Area: 76.15 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.25
• LOG S: -2.35
• Polar Surface Area: 76.15 Å^2
• Rotatable Bonds: 5