N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide

C20H30N2O3S — CID 108559576

IUPACN-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide
SMILESCc1ccc(C)c(S(=O)(=O)N2CCC(NC(=O)C3CCCCC3)CC2)c1
InChIInChI=1S/C20H30N2O3S/c1-15-8-9-16(2)19(14-15)26(24,25)22-12-10-18(11-13-22)21-20(23)17-6-4-3-5-7-17/h8-9,14,17-18H,3-7,10-13H2,1-2H3,(H,21,23)
InChIKeyWLYSRDHPOCFLIK-UHFFFAOYSA-N
MW378.54 g/mol
LogP3.15
Rot. Bonds4

About N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide

N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide (PubChem CID 108559576) has the molecular formula C20H30N2O3S and a molecular weight of 378.54 g/mol. Its IUPAC name is N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide
PubChem CID108559576
Molecular FormulaC20H30N2O3S
Molecular Weight378.54 g/mol
Exact Mass378.20
IUPAC NameN-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide
SMILESCc1ccc(C)c(S(=O)(=O)N2CCC(NC(=O)C3CCCCC3)CC2)c1
InChIInChI=1S/C20H30N2O3S/c1-15-8-9-16(2)19(14-15)26(24,25)22-12-10-18(11-13-22)21-20(23)17-6-4-3-5-7-17/h8-9,14,17-18H,3-7,10-13H2,1-2H3,(H,21,23)
InChIKeyWLYSRDHPOCFLIK-UHFFFAOYSA-N
XLogP3.15
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide
CID 26912952
1-(2,5-dimethylphenyl)sulfonyl-N-ethylpiperidine-4-carboxamide
CID 27234823
1-(2,5-dimethylphenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
CID 119980300
cyclopentyl-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 8924226
N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]pyridine-4-carboxamide
CID 108562425
tert-butyl (3S)-3-[[(3S)-1-(2,5-dimethylphenyl)sulfonylpiperidin-3-yl]carbamoyl]piperidine-1-carboxylate
CID 129377148
tert-butyl (3R)-3-[[(3R)-1-(2,5-dimethylphenyl)sulfonylpiperidin-3-yl]carbamoyl]piperidine-1-carboxylate
CID 51961600
N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]pyridine-2-carboxamide
CID 108562768
N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]furan-2-carboxamide
CID 108559603
3-(azepan-1-ylsulfonyl)-N-cycloheptyl-4-methylbenzamide
CID 9003730
N-cyclohexyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 1068516
N-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide
CID 108559574

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide?
The IUPAC name of N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide (CID 108559576) is N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide is Cc1ccc(C)c(S(=O)(=O)N2CCC(NC(=O)C3CCCCC3)CC2)c1.
What is the InChIKey of N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide?
The InChIKey is WLYSRDHPOCFLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3S/c1-15-8-9-16(2)19(14-15)26(24,25)22-12-10-18(11-13-22)21-20(23)17-6-4-3-5-7-17/h8-9,14,17-18H,3-7,10-13H2,1-2H3,(H,21,23).
What are the key properties of N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide?
N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide has a molecular weight of 378.54 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide is sourced from PubChem (CID 108559576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).