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4-cyclohexyl-N-(3-methanesulfonamidophenyl)piperazine-1-carboxamide
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ChemBase ID:
341630
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Molecular Formular:
C18H28N4O3S
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Molecular Mass:
380.50492
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Monoisotopic Mass:
380.18821178
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SMILES and InChIs
SMILES:
S(=O)(=O)(Nc1cc(NC(=O)N2CCN(CC2)C2CCCCC2)ccc1)C
Canonical SMILES:
O=C(N1CCN(CC1)C1CCCCC1)Nc1cccc(c1)NS(=O)(=O)C
InChI:
InChI=1S/C18H28N4O3S/c1-26(24,25)20-16-7-5-6-15(14-16)19-18(23)22-12-10-21(11-13-22)17-8-3-2-4-9-17/h5-7,14,17,20H,2-4,8-13H2,1H3,(H,19,23)
InChIKey:
OVAIERJLXSNZRN-UHFFFAOYSA-N
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Cite this record
CBID:341630 http://www.chembase.cn/molecule-341630.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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4-cyclohexyl-N-(3-methanesulfonamidophenyl)piperazine-1-carboxamide
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IUPAC Traditional name
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4-cyclohexyl-N-(3-methanesulfonamidophenyl)piperazine-1-carboxamide
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Synonyms
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4-cyclohexyl-N-{3-[(methylsulfonyl)amino]phenyl}piperazine-1-carboxamide
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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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9.5039425
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H Acceptors
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4
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H Donor
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2
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LogD (pH = 5.5)
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-1.2929901
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LogD (pH = 7.4)
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0.4781489
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Log P
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1.1734961
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Molar Refractivity
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103.1386 cm3
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Polarizability
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40.15332 Å3
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Polar Surface Area
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81.75 Å2
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Rotatable Bonds
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3
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Lipinski's Rule of Five
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true
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H Acceptors
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4
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H Donor
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2
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Log P
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2.14
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LOG S
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-3.8
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Polar Surface Area
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81.75 Å2
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Rotatable Bonds
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3
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent