2-(5-acetylthiophen-3-yl)-N-[3-(2,3-dihydro-1H-indol-1-yl)propyl]acetamide

• ChemBase ID: 739688
• Molecular Formular: C19H22N2O2S
• Molecular Mass: 342.45518
• Monoisotopic Mass: 342.14019895
• SMILES: c1(scc(c1)CC(=O)NCCCN1c2c(CC1)cccc2)C(=O)C
• Canonical SMILES: O=C(Cc1csc(c1)C(=O)C)NCCCN1CCc2c1cccc2
• InChI: InChI=1S/C19H22N2O2S/c1-14(22)18-11-15(13-24-18)12-19(23)20-8-4-9-21-10-7-16-5-2-3-6-17(16)21/h2-3,5-6,11,13H,4,7-10,12H2,1H3,(H,20,23)
• InChIKey: DCTDXYJHTLVSRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-acetylthiophen-3-yl)-N-[3-(2,3-dihydro-1H-indol-1-yl)propyl]acetamide
• IUPAC Traditional name: 2-(5-acetylthiophen-3-yl)-N-[3-(2,3-dihydroindol-1-yl)propyl]acetamide
• Synonyms: 2-(5-acetyl-3-thienyl)-N-[3-(2,3-dihydro-1H-indol-1-yl)propyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.813122
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.450175
• LogD (pH = 7.4): 2.5070932
• Log P: 2.5078695
• Molar Refractivity: 98.0698 cm^3
• Polarizability: 36.75755 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 1.86
• LOG S: -3.29
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 7