N-(2,3-dimethylcyclohexyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide

C23H36N2O3S — CID 43007922

IUPACN-(2,3-dimethylcyclohexyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NC3CCCC(C)C3C)CC2)c(C)c1
InChIInChI=1S/C23H36N2O3S/c1-15-13-17(3)22(18(4)14-15)29(27,28)25-11-9-20(10-12-25)23(26)24-21-8-6-7-16(2)19(21)5/h13-14,16,19-21H,6-12H2,1-5H3,(H,24,26)
InChIKeyFHZHYFIFYMGDLB-UHFFFAOYSA-N
MW420.62 g/mol
LogP3.95
Rot. Bonds4

About N-(2,3-dimethylcyclohexyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide

N-(2,3-dimethylcyclohexyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 43007922) has the molecular formula C23H36N2O3S and a molecular weight of 420.62 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID43007922
Molecular FormulaC23H36N2O3S
Molecular Weight420.62 g/mol
Exact Mass420.24
IUPAC NameN-(2,3-dimethylcyclohexyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NC3CCCC(C)C3C)CC2)c(C)c1
InChIInChI=1S/C23H36N2O3S/c1-15-13-17(3)22(18(4)14-15)29(27,28)25-11-9-20(10-12-25)23(26)24-21-8-6-7-16(2)19(21)5/h13-14,16,19-21H,6-12H2,1-5H3,(H,24,26)
InChIKeyFHZHYFIFYMGDLB-UHFFFAOYSA-N
XLogP3.95
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.62
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 98701148
N-[(1R,2R)-2-methylcyclohexyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 40563886
N-(2,3-dimethylcyclohexyl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 46541045
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-4-carboxamide
CID 98464539
N-cyclohexyl-N-cyclopropyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 55587647
azepan-1-yl-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methanone
CID 27658984
N-[(2S)-pentan-2-yl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 1090427
N-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 49458647
N-(2-chlorophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 21372919
N-cyclopentyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 3152152
(3S)-N-(1-methylpiperidin-4-yl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 99967793
N-[2-(diethylamino)ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26532730

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide (CID 43007922) is N-(2,3-dimethylcyclohexyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide is Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NC3CCCC(C)C3C)CC2)c(C)c1.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is FHZHYFIFYMGDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O3S/c1-15-13-17(3)22(18(4)14-15)29(27,28)25-11-9-20(10-12-25)23(26)24-21-8-6-7-16(2)19(21)5/h13-14,16,19-21H,6-12H2,1-5H3,(H,24,26).
What are the key properties of N-(2,3-dimethylcyclohexyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
N-(2,3-dimethylcyclohexyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 420.62 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 43007922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).