2-[(4-{[1-(dimethylsulfamoyl)piperidin-4-yl]oxy}phenyl)formamido]acetamide

• ChemBase ID: 483189
• Molecular Formular: C16H24N4O5S
• Molecular Mass: 384.45056
• Monoisotopic Mass: 384.14674089
• SMILES: S(=O)(=O)(N1CCC(CC1)Oc1ccc(C(=O)NCC(=O)N)cc1)N(C)C
• Canonical SMILES: CN(S(=O)(=O)N1CCC(CC1)Oc1ccc(cc1)C(=O)NCC(=O)N)C
• InChI: InChI=1S/C16H24N4O5S/c1-19(2)26(23,24)20-9-7-14(8-10-20)25-13-5-3-12(4-6-13)16(22)18-11-15(17)21/h3-6,14H,7-11H2,1-2H3,(H2,17,21)(H,18,22)
• InChIKey: QYXGBBBERFCMSY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(4-{[1-(dimethylsulfamoyl)piperidin-4-yl]oxy}phenyl)formamido]acetamide
• IUPAC Traditional name: 2-[(4-{[1-(dimethylsulfamoyl)piperidin-4-yl]oxy}phenyl)formamido]acetamide
• Synonyms: N-(2-amino-2-oxoethyl)-4-({1-[(dimethylamino)sulfonyl]piperidin-4-yl}oxy)benzamide (non-preferred name)

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.789187
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -1.6990328
• LogD (pH = 7.4): -1.6990314
• Log P: -1.6990314
• Molar Refractivity: 96.2945 cm^3
• Polarizability: 37.840168 Å^3
• Polar Surface Area: 122.04 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -1.08
• LOG S: -2.39
• Polar Surface Area: 122.04 Å^2
• Rotatable Bonds: 5