N-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide

C22H34N2O3S — CID 108559574

IUPACN-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCC(NC(=O)C3CCCCC3)CC2)cc1
InChIInChI=1S/C22H34N2O3S/c1-22(2,3)18-9-11-20(12-10-18)28(26,27)24-15-13-19(14-16-24)23-21(25)17-7-5-4-6-8-17/h9-12,17,19H,4-8,13-16H2,1-3H3,(H,23,25)
InChIKeyUZWXVQNOBOFQQA-UHFFFAOYSA-N
MW406.59 g/mol
LogP3.83
Rot. Bonds4

About N-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide

N-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide (PubChem CID 108559574) has the molecular formula C22H34N2O3S and a molecular weight of 406.59 g/mol. Its IUPAC name is N-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide
PubChem CID108559574
Molecular FormulaC22H34N2O3S
Molecular Weight406.59 g/mol
Exact Mass406.23
IUPAC NameN-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCC(NC(=O)C3CCCCC3)CC2)cc1
InChIInChI=1S/C22H34N2O3S/c1-22(2,3)18-9-11-20(12-10-18)28(26,27)24-15-13-19(14-16-24)23-21(25)17-7-5-4-6-8-17/h9-12,17,19H,4-8,13-16H2,1-3H3,(H,23,25)
InChIKeyUZWXVQNOBOFQQA-UHFFFAOYSA-N
XLogP3.83
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.59
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide
CID 108559576
N-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-3-methylbenzamide
CID 108561824
(3S)-N-cycloheptyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 9268767
1-(4-tert-butylphenyl)sulfonyl-N-(2-methylphenyl)piperidine-4-carboxamide
CID 27167039
N-cyclopentyl-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1326017
N-cyclohexyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 645701
(3S)-N-cyclohexyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 1081603
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]azocane-1-carboxamide
CID 78833850
(3S)-1-(benzenesulfonyl)-N-cycloheptylpiperidine-3-carboxamide
CID 39898448
N-(4-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide
CID 1013273
N-[(3S)-1-(4-acetamidophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide
CID 58656229
1-(4-tert-butylphenyl)sulfonyl-N-(1-phenylethyl)piperidine-4-carboxamide
CID 42998415

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide?
The IUPAC name of N-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide (CID 108559574) is N-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide is CC(C)(C)c1ccc(S(=O)(=O)N2CCC(NC(=O)C3CCCCC3)CC2)cc1.
What is the InChIKey of N-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide?
The InChIKey is UZWXVQNOBOFQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O3S/c1-22(2,3)18-9-11-20(12-10-18)28(26,27)24-15-13-19(14-16-24)23-21(25)17-7-5-4-6-8-17/h9-12,17,19H,4-8,13-16H2,1-3H3,(H,23,25).
What are the key properties of N-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide?
N-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide has a molecular weight of 406.59 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide is sourced from PubChem (CID 108559574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).