N-[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethyl]cyclohexanecarboxamide

C23H35N3O4S — CID 2688191

IUPACN-[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethyl]cyclohexanecarboxamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)CNC(=O)C3CCCCC3)CC2)c1C
InChIInChI=1S/C23H35N3O4S/c1-16-14-17(2)19(4)22(18(16)3)31(29,30)26-12-10-25(11-13-26)21(27)15-24-23(28)20-8-6-5-7-9-20/h14,20H,5-13,15H2,1-4H3,(H,24,28)
InChIKeyYYRLILOESVMRHY-UHFFFAOYSA-N
MW449.62 g/mol
LogP2.45
Rot. Bonds5

About N-[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethyl]cyclohexanecarboxamide

N-[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethyl]cyclohexanecarboxamide (PubChem CID 2688191) has the molecular formula C23H35N3O4S and a molecular weight of 449.62 g/mol. Its IUPAC name is N-[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethyl]cyclohexanecarboxamide
PubChem CID2688191
Molecular FormulaC23H35N3O4S
Molecular Weight449.62 g/mol
Exact Mass449.23
IUPAC NameN-[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethyl]cyclohexanecarboxamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)CNC(=O)C3CCCCC3)CC2)c1C
InChIInChI=1S/C23H35N3O4S/c1-16-14-17(2)19(4)22(18(16)3)31(29,30)26-12-10-25(11-13-26)21(27)15-24-23(28)20-8-6-5-7-9-20/h14,20H,5-13,15H2,1-4H3,(H,24,28)
InChIKeyYYRLILOESVMRHY-UHFFFAOYSA-N
XLogP2.45
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.62
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethyl]-2-phenylacetamide
CID 38073776
N-[2-[4-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]cyclohexanecarboxamide
CID 16616052
2-amino-1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 119265641
N-[2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]cyclopentanecarboxamide
CID 55648006
N-(3-aminopropyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 119405340
cyclopropyl-[4-(2,3,5,6-tetramethylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone
CID 110797136
N-[2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-2-oxoethyl]cyclohexanecarboxamide
CID 26870754
N-[2-(ethylamino)ethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119505200
N-[3-(methylamino)propyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119430053
N-(2-morpholin-4-ylpropyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 55612058
N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]cyclopentanecarboxamide
CID 38021617
N-(3-ethoxypropyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 27680479

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethyl]cyclohexanecarboxamide (CID 2688191) is N-[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethyl]cyclohexanecarboxamide is Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)CNC(=O)C3CCCCC3)CC2)c1C.
What is the InChIKey of N-[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethyl]cyclohexanecarboxamide?
The InChIKey is YYRLILOESVMRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O4S/c1-16-14-17(2)19(4)22(18(16)3)31(29,30)26-12-10-25(11-13-26)21(27)15-24-23(28)20-8-6-5-7-9-20/h14,20H,5-13,15H2,1-4H3,(H,24,28).
What are the key properties of N-[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethyl]cyclohexanecarboxamide?
N-[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethyl]cyclohexanecarboxamide has a molecular weight of 449.62 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 2688191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).