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N-(1-methoxybutan-2-yl)-3-[(oxan-4-yl)sulfamoyl]benzamide
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ChemBase ID:
470742
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Molecular Formular:
C17H26N2O5S
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Molecular Mass:
370.46374
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Monoisotopic Mass:
370.15624294
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SMILES and InChIs
SMILES:
S(=O)(=O)(NC1CCOCC1)c1cc(C(=O)NC(COC)CC)ccc1
Canonical SMILES:
COCC(NC(=O)c1cccc(c1)S(=O)(=O)NC1CCOCC1)CC
InChI:
InChI=1S/C17H26N2O5S/c1-3-14(12-23-2)18-17(20)13-5-4-6-16(11-13)25(21,22)19-15-7-9-24-10-8-15/h4-6,11,14-15,19H,3,7-10,12H2,1-2H3,(H,18,20)
InChIKey:
UWMNZVGYOIPZJC-UHFFFAOYSA-N
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Cite this record
CBID:470742 http://www.chembase.cn/molecule-470742.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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N-(1-methoxybutan-2-yl)-3-[(oxan-4-yl)sulfamoyl]benzamide
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IUPAC Traditional name
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N-(1-methoxybutan-2-yl)-3-[(oxan-4-yl)sulfamoyl]benzamide
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Synonyms
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N-[1-(methoxymethyl)propyl]-3-[(tetrahydro-2H-pyran-4-ylamino)sulfonyl]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)
Log P
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0.730577
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Molar Refractivity
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95.5495 cm3
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Polarizability
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37.570675 Å3
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Polar Surface Area
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93.73 Å2
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Rotatable Bonds
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7
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Lipinski's Rule of Five
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true
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Acid pKa
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9.873003
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H Acceptors
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5
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H Donor
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2
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LogD (pH = 5.5)
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0.7305606
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LogD (pH = 7.4)
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0.72928464
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Log P
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1.06
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LOG S
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-2.81
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Polar Surface Area
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93.73 Å2
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Rotatable Bonds
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7
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H Acceptors
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5
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H Donor
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2
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent