N-(2,3-dihydro-1H-inden-5-yl)-2-(4-methanesulfonylmorpholin-3-yl)acetamide

• ChemBase ID: 711403
• Molecular Formular: C16H22N2O4S
• Molecular Mass: 338.42188
• Monoisotopic Mass: 338.13002819
• SMILES: S(=O)(=O)(N1C(CC(=O)Nc2cc3c(cc2)CCC3)COCC1)C
• Canonical SMILES: O=C(CC1COCCN1S(=O)(=O)C)Nc1ccc2c(c1)CCC2
• InChI: InChI=1S/C16H22N2O4S/c1-23(20,21)18-7-8-22-11-15(18)10-16(19)17-14-6-5-12-3-2-4-13(12)9-14/h5-6,9,15H,2-4,7-8,10-11H2,1H3,(H,17,19)
• InChIKey: SPPJEIJGKHJIHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,3-dihydro-1H-inden-5-yl)-2-(4-methanesulfonylmorpholin-3-yl)acetamide
• IUPAC Traditional name: N-(2,3-dihydro-1H-inden-5-yl)-2-(4-methanesulfonylmorpholin-3-yl)acetamide
• Synonyms: N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(methylsulfonyl)-3-morpholinyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.437738
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.9103527
• LogD (pH = 7.4): 0.9103527
• Log P: 0.9103527
• Molar Refractivity: 88.5475 cm^3
• Polarizability: 34.38157 Å^3
• Polar Surface Area: 75.71 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.47
• LOG S: -2.92
• Polar Surface Area: 75.71 Å^2
• Rotatable Bonds: 3