N-[2-(2,3-dihydro-1H-indol-1-yl)ethyl]-5-(oxolan-2-yl)thiophene-2-carboxamide

• ChemBase ID: 313687
• Molecular Formular: C19H22N2O2S
• Molecular Mass: 342.45518
• Monoisotopic Mass: 342.14019895
• SMILES: s1c(C(=O)NCCN2c3c(CC2)cccc3)ccc1C1OCCC1
• Canonical SMILES: O=C(c1ccc(s1)C1CCCO1)NCCN1CCc2c1cccc2
• InChI: InChI=1S/C19H22N2O2S/c22-19(18-8-7-17(24-18)16-6-3-13-23-16)20-10-12-21-11-9-14-4-1-2-5-15(14)21/h1-2,4-5,7-8,16H,3,6,9-13H2,(H,20,22)
• InChIKey: BVHKIDDXXRHYFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(2,3-dihydro-1H-indol-1-yl)ethyl]-5-(oxolan-2-yl)thiophene-2-carboxamide
• IUPAC Traditional name: N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-(oxolan-2-yl)thiophene-2-carboxamide
• Synonyms: N-[2-(2,3-dihydro-1H-indol-1-yl)ethyl]-5-(tetrahydro-2-furanyl)-2-thiophenecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.87147
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.376557
• LogD (pH = 7.4): 3.3837845
• Log P: 3.3838775
• Molar Refractivity: 97.3126 cm^3
• Polarizability: 36.457016 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.62
• LOG S: -3.94
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 5