N-(furan-2-ylmethyl)-2-methanesulfonyl-N-[2-(morpholin-4-yl)ethyl]acetamide

• ChemBase ID: 664606
• Molecular Formular: C14H22N2O5S
• Molecular Mass: 330.39988
• Monoisotopic Mass: 330.12494281
• SMILES: S(=O)(=O)(CC(=O)N(Cc1occc1)CCN1CCOCC1)C
• Canonical SMILES: O=C(N(Cc1ccco1)CCN1CCOCC1)CS(=O)(=O)C
• InChI: InChI=1S/C14H22N2O5S/c1-22(18,19)12-14(17)16(11-13-3-2-8-21-13)5-4-15-6-9-20-10-7-15/h2-3,8H,4-7,9-12H2,1H3
• InChIKey: ATQBUFHQBKUNPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(furan-2-ylmethyl)-2-methanesulfonyl-N-[2-(morpholin-4-yl)ethyl]acetamide
• IUPAC Traditional name: N-(furan-2-ylmethyl)-2-methanesulfonyl-N-[2-(morpholin-4-yl)ethyl]acetamide
• Synonyms: N-(2-furylmethyl)-2-(methylsulfonyl)-N-(2-morpholin-4-ylethyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 8.524784
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.1572288
• LogD (pH = 7.4): -1.1727247
• Log P: -1.1411474
• Molar Refractivity: 82.0813 cm^3
• Polarizability: 32.57953 Å^3
• Polar Surface Area: 80.06 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 0.05
• LOG S: -4.01
• Polar Surface Area: 80.06 Å^2
• Rotatable Bonds: 7