N-[2-(4-fluorobenzenesulfonyl)ethyl]-2-[1-(propan-2-yl)piperidin-4-yl]acetamide

• ChemBase ID: 841736
• Molecular Formular: C18H27FN2O3S
• Molecular Mass: 370.4819832
• Monoisotopic Mass: 370.17264195
• SMILES: S(=O)(=O)(c1ccc(cc1)F)CCNC(=O)CC1CCN(CC1)C(C)C
• Canonical SMILES: O=C(CC1CCN(CC1)C(C)C)NCCS(=O)(=O)c1ccc(cc1)F
• InChI: InChI=1S/C18H27FN2O3S/c1-14(2)21-10-7-15(8-11-21)13-18(22)20-9-12-25(23,24)17-5-3-16(19)4-6-17/h3-6,14-15H,7-13H2,1-2H3,(H,20,22)
• InChIKey: JBIASSOQDXWAQV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4-fluorobenzenesulfonyl)ethyl]-2-[1-(propan-2-yl)piperidin-4-yl]acetamide
• IUPAC Traditional name: N-[2-(4-fluorobenzenesulfonyl)ethyl]-2-(1-isopropylpiperidin-4-yl)acetamide
• Synonyms: N-{2-[(4-fluorophenyl)sulfonyl]ethyl}-2-(1-isopropyl-4-piperidinyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.689882
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.8182824
• LogD (pH = 7.4): 0.93626827
• Log P: 1.5789186
• Molar Refractivity: 96.6438 cm^3
• Polarizability: 38.260727 Å^3
• Polar Surface Area: 66.48 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.83
• LOG S: -3.46
• Polar Surface Area: 66.48 Å^2
• Rotatable Bonds: 7