N-{[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl}-3-methyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide

• ChemBase ID: 461012
• Molecular Formular: C26H34N2O2S
• Molecular Mass: 438.62536
• Monoisotopic Mass: 438.23409934
• SMILES: C(=O)(c1c(ccs1)C)N(CC1OCCC1)CC1CCN(C2Cc3c(C2)cccc3)CC1
• Canonical SMILES: Cc1ccsc1C(=O)N(CC1CCCO1)CC1CCN(CC1)C1Cc2c(C1)cccc2
• InChI: InChI=1S/C26H34N2O2S/c1-19-10-14-31-25(19)26(29)28(18-24-7-4-13-30-24)17-20-8-11-27(12-9-20)23-15-21-5-2-3-6-22(21)16-23/h2-3,5-6,10,14,20,23-24H,4,7-9,11-13,15-18H2,1H3
• InChIKey: OGGAFNSYYOLYDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl}-3-methyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
• IUPAC Traditional name: N-{[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl}-3-methyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
• Synonyms: N-{[1-(2,3-dihydro-1H-inden-2-yl)-4-piperidinyl]methyl}-3-methyl-N-(tetrahydro-2-furanylmethyl)-2-thiophenecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.3251511
• LogD (pH = 7.4): 2.5912366
• Log P: 4.7163267
• Molar Refractivity: 127.7321 cm^3
• Polarizability: 48.836815 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.16
• LOG S: -4.92
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 6