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

• ChemBase ID: 756619
• Molecular Formular: C19H27N3O3S
• Molecular Mass: 377.50098
• Monoisotopic Mass: 377.17731274
• SMILES: S(=O)(=O)(N1CCCC1)CCNC(=O)Cc1c([nH]c2c1c(ccc2C)C)C
• Canonical SMILES: O=C(Cc1c(C)[nH]c2c1c(C)ccc2C)NCCS(=O)(=O)N1CCCC1
• InChI: InChI=1S/C19H27N3O3S/c1-13-6-7-14(2)19-18(13)16(15(3)21-19)12-17(23)20-8-11-26(24,25)22-9-4-5-10-22/h6-7,21H,4-5,8-12H2,1-3H3,(H,20,23)
• InChIKey: VOULEHWKMVOZGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.62368
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.651458
• LogD (pH = 7.4): 1.651458
• Log P: 1.651458
• Molar Refractivity: 103.9592 cm^3
• Polarizability: 41.3365 Å^3
• Polar Surface Area: 82.27 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.2
• LOG S: -3.83
• Polar Surface Area: 82.27 Å^2
• Rotatable Bonds: 5