N-[3-({7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl}sulfonyl)phenyl]acetamide

• ChemBase ID: 684539
• Molecular Formular: C17H23N3O4S
• Molecular Mass: 365.44722
• Monoisotopic Mass: 365.14092723
• SMILES: S(=O)(=O)(N1CC2(C(=O)N(CCC2)C)CC1)c1cc(NC(=O)C)ccc1
• Canonical SMILES: CC(=O)Nc1cccc(c1)S(=O)(=O)N1CCC2(C1)CCCN(C2=O)C
• InChI: InChI=1S/C17H23N3O4S/c1-13(21)18-14-5-3-6-15(11-14)25(23,24)20-10-8-17(12-20)7-4-9-19(2)16(17)22/h3,5-6,11H,4,7-10,12H2,1-2H3,(H,18,21)
• InChIKey: HHBQCOOBRZIXJN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-({7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl}sulfonyl)phenyl]acetamide
• IUPAC Traditional name: N-(3-{7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-ylsulfonyl}phenyl)acetamide
• Synonyms: N-{3-[(7-methyl-6-oxo-2,7-diazaspiro[4.5]dec-2-yl)sulfonyl]phenyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.782688
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.21624792
• LogD (pH = 7.4): 0.21624795
• Log P: 0.21624812
• Molar Refractivity: 95.4852 cm^3
• Polarizability: 36.868862 Å^3
• Polar Surface Area: 86.79 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.25
• LOG S: -3.39
• Polar Surface Area: 86.79 Å^2
• Rotatable Bonds: 2