N-[3-[4-(2-phenylethenylsulfonyl)piperazine-1-carbonyl]phenyl]cyclohexanecarboxamide

C26H31N3O4S — CID 55648219

IUPACN-[3-[4-(2-phenylethenylsulfonyl)piperazine-1-carbonyl]phenyl]cyclohexanecarboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCN(S(=O)(=O)C=Cc3ccccc3)CC2)c1)C1CCCCC1
InChIInChI=1S/C26H31N3O4S/c30-25(22-10-5-2-6-11-22)27-24-13-7-12-23(20-24)26(31)28-15-17-29(18-16-28)34(32,33)19-14-21-8-3-1-4-9-21/h1,3-4,7-9,12-14,19-20,22H,2,5-6,10-11,15-18H2,(H,27,30)
InChIKeyDRSZUXDFDLOLGR-UHFFFAOYSA-N
MW481.62 g/mol
LogP3.96
Rot. Bonds6

About N-[3-[4-(2-phenylethenylsulfonyl)piperazine-1-carbonyl]phenyl]cyclohexanecarboxamide

N-[3-[4-(2-phenylethenylsulfonyl)piperazine-1-carbonyl]phenyl]cyclohexanecarboxamide (PubChem CID 55648219) has the molecular formula C26H31N3O4S and a molecular weight of 481.62 g/mol. Its IUPAC name is N-[3-[4-(2-phenylethenylsulfonyl)piperazine-1-carbonyl]phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-[4-(2-phenylethenylsulfonyl)piperazine-1-carbonyl]phenyl]cyclohexanecarboxamide
PubChem CID55648219
Molecular FormulaC26H31N3O4S
Molecular Weight481.62 g/mol
Exact Mass481.20
IUPAC NameN-[3-[4-(2-phenylethenylsulfonyl)piperazine-1-carbonyl]phenyl]cyclohexanecarboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCN(S(=O)(=O)C=Cc3ccccc3)CC2)c1)C1CCCCC1
InChIInChI=1S/C26H31N3O4S/c30-25(22-10-5-2-6-11-22)27-24-13-7-12-23(20-24)26(31)28-15-17-29(18-16-28)34(32,33)19-14-21-8-3-1-4-9-21/h1,3-4,7-9,12-14,19-20,22H,2,5-6,10-11,15-18H2,(H,27,30)
InChIKeyDRSZUXDFDLOLGR-UHFFFAOYSA-N
XLogP3.96
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.62
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chlorophenyl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
CID 8925154
N-(3-nitrophenyl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 9410934
1-[(E)-2-phenylethenyl]sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 26087824
N-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]cyclohexanecarboxamide
CID 46429907
N-[3-[4-(2-morpholin-4-yl-2-oxoacetyl)piperazine-1-carbonyl]phenyl]cyclohexanecarboxamide
CID 55649623
3-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119219598
1-[(E)-2-phenylethenyl]sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide
CID 26592122
(4-cyclopentyloxyphenyl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
CID 55605217
(E)-N-[[3-(azepane-1-carbonyl)phenyl]carbamothioyl]-3-phenylprop-2-enamide
CID 26159883
N-[3-[4-(3-bromophenyl)sulfonylpiperazine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 31239856
N-[3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 31611202
N-[3-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carbonyl]phenyl]cyclohexanecarboxamide
CID 55650668

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-phenylethenylsulfonyl)piperazine-1-carbonyl]phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[3-[4-(2-phenylethenylsulfonyl)piperazine-1-carbonyl]phenyl]cyclohexanecarboxamide (CID 55648219) is N-[3-[4-(2-phenylethenylsulfonyl)piperazine-1-carbonyl]phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-[4-(2-phenylethenylsulfonyl)piperazine-1-carbonyl]phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-[4-(2-phenylethenylsulfonyl)piperazine-1-carbonyl]phenyl]cyclohexanecarboxamide is O=C(Nc1cccc(C(=O)N2CCN(S(=O)(=O)C=Cc3ccccc3)CC2)c1)C1CCCCC1.
What is the InChIKey of N-[3-[4-(2-phenylethenylsulfonyl)piperazine-1-carbonyl]phenyl]cyclohexanecarboxamide?
The InChIKey is DRSZUXDFDLOLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O4S/c30-25(22-10-5-2-6-11-22)27-24-13-7-12-23(20-24)26(31)28-15-17-29(18-16-28)34(32,33)19-14-21-8-3-1-4-9-21/h1,3-4,7-9,12-14,19-20,22H,2,5-6,10-11,15-18H2,(H,27,30).
What are the key properties of N-[3-[4-(2-phenylethenylsulfonyl)piperazine-1-carbonyl]phenyl]cyclohexanecarboxamide?
N-[3-[4-(2-phenylethenylsulfonyl)piperazine-1-carbonyl]phenyl]cyclohexanecarboxamide has a molecular weight of 481.62 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-phenylethenylsulfonyl)piperazine-1-carbonyl]phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 55648219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).