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

• ChemBase ID: 614394
• Molecular Formular: C20H24N2O2S
• Molecular Mass: 356.48176
• Monoisotopic Mass: 356.15584902
• SMILES: s1c(C(=O)NCCCN2c3c(CC2)cccc3)ccc1C1OCCC1
• Canonical SMILES: O=C(c1ccc(s1)C1CCCO1)NCCCN1CCc2c1cccc2
• InChI: InChI=1S/C20H24N2O2S/c23-20(19-9-8-18(25-19)17-7-3-14-24-17)21-11-4-12-22-13-10-15-5-1-2-6-16(15)22/h1-2,5-6,8-9,17H,3-4,7,10-14H2,(H,21,23)
• InChIKey: XMMYNNSJEJIAND-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.8888645
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.3861446
• LogD (pH = 7.4): 3.4430609
• Log P: 3.4438372
• Molar Refractivity: 102.178 cm^3
• Polarizability: 38.2958 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.95
• LOG S: -4.32
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 6