N-({3-[2-(morpholin-4-yl)ethoxy]phenyl}methyl)-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide

• ChemBase ID: 751416
• Molecular Formular: C23H27N3O4S2
• Molecular Mass: 473.60818
• Monoisotopic Mass: 473.14429836
• SMILES: S(=O)(=O)(N(Cc1ncccc1)Cc1cc(OCCN2CCOCC2)ccc1)c1sccc1
• Canonical SMILES: O=S(=O)(c1cccs1)N(Cc1ccccn1)Cc1cccc(c1)OCCN1CCOCC1
• InChI: InChI=1S/C23H27N3O4S2/c27-32(28,23-8-4-16-31-23)26(19-21-6-1-2-9-24-21)18-20-5-3-7-22(17-20)30-15-12-25-10-13-29-14-11-25/h1-9,16-17H,10-15,18-19H2
• InChIKey: LUFXJHYVMKFMHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({3-[2-(morpholin-4-yl)ethoxy]phenyl}methyl)-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide
• IUPAC Traditional name: N-({3-[2-(morpholin-4-yl)ethoxy]phenyl}methyl)-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide
• Synonyms: N-{3-[2-(4-morpholinyl)ethoxy]benzyl}-N-(2-pyridinylmethyl)-2-thiophenesulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.7281436
• LogD (pH = 7.4): 2.8560858
• Log P: 2.9282851
• Molar Refractivity: 124.3779 cm^3
• Polarizability: 49.485596 Å^3
• Polar Surface Area: 71.97 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 2.94
• LOG S: -1.72
• Polar Surface Area: 71.97 Å^2
• Rotatable Bonds: 9