4-(tert-butylsulfonylamino)-N-[4-(2,3-dimethylcyclohexyl)phenyl]piperidine-1-carboxamide

C24H39N3O3S — CID 20629976

IUPAC4-(tert-butylsulfonylamino)-N-[4-(2,3-dimethylcyclohexyl)phenyl]piperidine-1-carboxamide
SMILESCC1CCCC(c2ccc(NC(=O)N3CCC(NS(=O)(=O)C(C)(C)C)CC3)cc2)C1C
InChIInChI=1S/C24H39N3O3S/c1-17-7-6-8-22(18(17)2)19-9-11-20(12-10-19)25-23(28)27-15-13-21(14-16-27)26-31(29,30)24(3,4)5/h9-12,17-18,21-22,26H,6-8,13-16H2,1-5H3,(H,25,28)
InChIKeyOWCRWJSXCZUYJA-UHFFFAOYSA-N
MW449.66 g/mol
LogP4.94
Rot. Bonds4

About 4-(tert-butylsulfonylamino)-N-[4-(2,3-dimethylcyclohexyl)phenyl]piperidine-1-carboxamide

4-(tert-butylsulfonylamino)-N-[4-(2,3-dimethylcyclohexyl)phenyl]piperidine-1-carboxamide (PubChem CID 20629976) has the molecular formula C24H39N3O3S and a molecular weight of 449.66 g/mol. Its IUPAC name is 4-(tert-butylsulfonylamino)-N-[4-(2,3-dimethylcyclohexyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(tert-butylsulfonylamino)-N-[4-(2,3-dimethylcyclohexyl)phenyl]piperidine-1-carboxamide
PubChem CID20629976
Molecular FormulaC24H39N3O3S
Molecular Weight449.66 g/mol
Exact Mass449.27
IUPAC Name4-(tert-butylsulfonylamino)-N-[4-(2,3-dimethylcyclohexyl)phenyl]piperidine-1-carboxamide
SMILESCC1CCCC(c2ccc(NC(=O)N3CCC(NS(=O)(=O)C(C)(C)C)CC3)cc2)C1C
InChIInChI=1S/C24H39N3O3S/c1-17-7-6-8-22(18(17)2)19-9-11-20(12-10-19)25-23(28)27-15-13-21(14-16-27)26-31(29,30)24(3,4)5/h9-12,17-18,21-22,26H,6-8,13-16H2,1-5H3,(H,25,28)
InChIKeyOWCRWJSXCZUYJA-UHFFFAOYSA-N
XLogP4.94
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.66
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-tert-butylphenyl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide
CID 20630756
4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]piperidine-1-carboxamide
CID 20630138
4-(tert-butylsulfonylamino)-N-[4-(1,3-oxazol-2-yl)phenyl]piperidine-1-carboxamide
CID 20630715
4-(tert-butylsulfonylamino)-N-(3-cyclohexyloxyphenyl)piperidine-1-carboxamide
CID 20629788
4-(tert-butylsulfonylamino)-N-[3-(cyclohexylsulfamoyl)phenyl]piperidine-1-carboxamide
CID 20629800
4-(tert-butylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
CID 20629076
4-(tert-butylsulfonylamino)-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 20629541
4-(tert-butylsulfonylamino)-N-(2,4,6-trifluorophenyl)piperidine-1-carboxamide
CID 20629067
N-(4-cyclopentyloxyphenyl)-4-(methylsulfamoylamino)piperidine-1-carboxamide
CID 100665698
N-(4-ethylphenyl)-4-(propylsulfonylamino)piperidine-1-carboxamide
CID 47032203
(2R,3R)-N-[4-[[(2R,3S)-2,3-dimethylpiperidine-1-carbonyl]amino]phenyl]-2,3-dimethylpiperidine-1-carboxamide
CID 7329733
(2R,3R)-N-[4-[[(2S,3S)-2,3-dimethylpiperidine-1-carbonyl]amino]phenyl]-2,3-dimethylpiperidine-1-carboxamide
CID 11897842

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylsulfonylamino)-N-[4-(2,3-dimethylcyclohexyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-(tert-butylsulfonylamino)-N-[4-(2,3-dimethylcyclohexyl)phenyl]piperidine-1-carboxamide (CID 20629976) is 4-(tert-butylsulfonylamino)-N-[4-(2,3-dimethylcyclohexyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(tert-butylsulfonylamino)-N-[4-(2,3-dimethylcyclohexyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(tert-butylsulfonylamino)-N-[4-(2,3-dimethylcyclohexyl)phenyl]piperidine-1-carboxamide is CC1CCCC(c2ccc(NC(=O)N3CCC(NS(=O)(=O)C(C)(C)C)CC3)cc2)C1C.
What is the InChIKey of 4-(tert-butylsulfonylamino)-N-[4-(2,3-dimethylcyclohexyl)phenyl]piperidine-1-carboxamide?
The InChIKey is OWCRWJSXCZUYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N3O3S/c1-17-7-6-8-22(18(17)2)19-9-11-20(12-10-19)25-23(28)27-15-13-21(14-16-27)26-31(29,30)24(3,4)5/h9-12,17-18,21-22,26H,6-8,13-16H2,1-5H3,(H,25,28).
What are the key properties of 4-(tert-butylsulfonylamino)-N-[4-(2,3-dimethylcyclohexyl)phenyl]piperidine-1-carboxamide?
4-(tert-butylsulfonylamino)-N-[4-(2,3-dimethylcyclohexyl)phenyl]piperidine-1-carboxamide has a molecular weight of 449.66 g/mol, XLogP of 4.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylsulfonylamino)-N-[4-(2,3-dimethylcyclohexyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 20629976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).