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4-cyclohexyl-N-(3-methanesulfonamidophenyl)piperazine-1-carboxamide

ChemBase ID: 341630
Molecular Formular: C18H28N4O3S
Molecular Mass: 380.50492
Monoisotopic Mass: 380.18821178
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

Cite this record

CBID:341630 http://www.chembase.cn/molecule-341630.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-cyclohexyl-N-(3-methanesulfonamidophenyl)piperazine-1-carboxamide
IUPAC Traditional name
4-cyclohexyl-N-(3-methanesulfonamidophenyl)piperazine-1-carboxamide
Synonyms
4-cyclohexyl-N-{3-[(methylsulfonyl)amino]phenyl}piperazine-1-carboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 14046496 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 9.5039425  H Acceptors
H Donor LogD (pH = 5.5) -1.2929901 
LogD (pH = 7.4) 0.4781489  Log P 1.1734961 
Molar Refractivity 103.1386 cm3 Polarizability 40.15332 Å3
Polar Surface Area 81.75 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.14  LOG S -3.8 
Polar Surface Area 81.75 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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