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N-(furan-3-ylmethyl)-2-[(1-methanesulfonylpiperidin-4-yl)oxy]benzamide
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ChemBase ID:
340522
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Molecular Formular:
C18H22N2O5S
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Molecular Mass:
378.44268
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Monoisotopic Mass:
378.12494281
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SMILES and InChIs
SMILES:
S(=O)(=O)(N1CCC(Oc2c(C(=O)NCc3cocc3)cccc2)CC1)C
Canonical SMILES:
O=C(c1ccccc1OC1CCN(CC1)S(=O)(=O)C)NCc1cocc1
InChI:
InChI=1S/C18H22N2O5S/c1-26(22,23)20-9-6-15(7-10-20)25-17-5-3-2-4-16(17)18(21)19-12-14-8-11-24-13-14/h2-5,8,11,13,15H,6-7,9-10,12H2,1H3,(H,19,21)
InChIKey:
JQSNDHITIXPMAX-UHFFFAOYSA-N
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Cite this record
CBID:340522 http://www.chembase.cn/molecule-340522.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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N-(furan-3-ylmethyl)-2-[(1-methanesulfonylpiperidin-4-yl)oxy]benzamide
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IUPAC Traditional name
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N-(furan-3-ylmethyl)-2-[(1-methanesulfonylpiperidin-4-yl)oxy]benzamide
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Synonyms
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N-(3-furylmethyl)-2-{[1-(methylsulfonyl)piperidin-4-yl]oxy}benzamide
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
Acid pKa
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13.995926
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H Acceptors
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4
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H Donor
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1
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LogD (pH = 5.5)
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0.50334877
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LogD (pH = 7.4)
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0.5033487
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Log P
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0.5033488
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Molar Refractivity
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96.9456 cm3
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Polarizability
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37.839306 Å3
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Polar Surface Area
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88.85 Å2
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Rotatable Bonds
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5
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Lipinski's Rule of Five
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true
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H Acceptors
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5
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H Donor
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1
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Log P
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1.81
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LOG S
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-3.5
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Polar Surface Area
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88.85 Å2
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Rotatable Bonds
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5
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent