N-[2-(ethanesulfonyl)ethyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide

• ChemBase ID: 679544
• Molecular Formular: C17H24N2O3S
• Molecular Mass: 336.44906
• Monoisotopic Mass: 336.15076364
• SMILES: c1(c([nH]c2c1c(ccc2C)C)C)CC(=O)NCCS(=O)(=O)CC
• Canonical SMILES: CCS(=O)(=O)CCNC(=O)Cc1c(C)[nH]c2c1c(C)ccc2C
• InChI: InChI=1S/C17H24N2O3S/c1-5-23(21,22)9-8-18-15(20)10-14-13(4)19-17-12(3)7-6-11(2)16(14)17/h6-7,19H,5,8-10H2,1-4H3,(H,18,20)
• InChIKey: RMPVKYHZCFYABP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(ethanesulfonyl)ethyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide
• IUPAC Traditional name: N-[2-(ethanesulfonyl)ethyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide
• Synonyms: N-[2-(ethylsulfonyl)ethyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.630095
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.5415833
• LogD (pH = 7.4): 1.5415833
• Log P: 1.5415833
• Molar Refractivity: 93.1361 cm^3
• Polarizability: 37.244648 Å^3
• Polar Surface Area: 79.03 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.5
• LOG S: -2.93
• Polar Surface Area: 79.03 Å^2
• Rotatable Bonds: 6