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

• ChemBase ID: 674838
• Molecular Formular: C18H28N2O5S
• Molecular Mass: 384.49032
• Monoisotopic Mass: 384.17189301
• SMILES: S(=O)(=O)(N1CCC(Oc2c(C(=O)NCCCOCC)cccc2)CC1)C
• Canonical SMILES: CCOCCCNC(=O)c1ccccc1OC1CCN(CC1)S(=O)(=O)C
• InChI: InChI=1S/C18H28N2O5S/c1-3-24-14-6-11-19-18(21)16-7-4-5-8-17(16)25-15-9-12-20(13-10-15)26(2,22)23/h4-5,7-8,15H,3,6,9-14H2,1-2H3,(H,19,21)
• InChIKey: NONAPWIQLOIHRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.137092
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.008422279
• LogD (pH = 7.4): 0.0084223
• Log P: 0.008422372
• Molar Refractivity: 100.4771 cm^3
• Polarizability: 39.42633 Å^3
• Polar Surface Area: 84.94 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.15
• LOG S: -4.41
• Polar Surface Area: 84.94 Å^2
• Rotatable Bonds: 6