N-{2-[1-(naphthalene-2-sulfonyl)piperidin-2-yl]ethyl}acetamide

• ChemBase ID: 505655
• Molecular Formular: C19H24N2O3S
• Molecular Mass: 360.47046
• Monoisotopic Mass: 360.15076364
• SMILES: S(=O)(=O)(N1C(CCNC(=O)C)CCCC1)c1cc2c(cc1)cccc2
• Canonical SMILES: CC(=O)NCCC1CCCCN1S(=O)(=O)c1ccc2c(c1)cccc2
• InChI: InChI=1S/C19H24N2O3S/c1-15(22)20-12-11-18-8-4-5-13-21(18)25(23,24)19-10-9-16-6-2-3-7-17(16)14-19/h2-3,6-7,9-10,14,18H,4-5,8,11-13H2,1H3,(H,20,22)
• InChIKey: QMKZHNZSGZKYAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[1-(naphthalene-2-sulfonyl)piperidin-2-yl]ethyl}acetamide
• IUPAC Traditional name: N-{2-[1-(naphthalene-2-sulfonyl)piperidin-2-yl]ethyl}acetamide
• Synonyms: N-{2-[1-(2-naphthylsulfonyl)-2-piperidinyl]ethyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.397272
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.0080612
• LogD (pH = 7.4): 2.0080612
• Log P: 2.0080612
• Molar Refractivity: 98.5307 cm^3
• Polarizability: 40.156513 Å^3
• Polar Surface Area: 66.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.65
• LOG S: -4.09
• Polar Surface Area: 66.48 Å^2
• Rotatable Bonds: 4