1-(3,4-dimethylphenyl)sulfonyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide

C23H30N2O3S — CID 8759981

IUPAC1-(3,4-dimethylphenyl)sulfonyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
SMILESCc1cc(C)c(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)c(C)c1
InChIInChI=1S/C23H30N2O3S/c1-15-12-18(4)22(19(5)13-15)24-23(26)20-8-10-25(11-9-20)29(27,28)21-7-6-16(2)17(3)14-21/h6-7,12-14,20H,8-11H2,1-5H3,(H,24,26)
InChIKeyXONLYUCLUKQQCV-UHFFFAOYSA-N
MW414.57 g/mol
LogP4.27
Rot. Bonds4

About 1-(3,4-dimethylphenyl)sulfonyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide

1-(3,4-dimethylphenyl)sulfonyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide (PubChem CID 8759981) has the molecular formula C23H30N2O3S and a molecular weight of 414.57 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)sulfonyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)sulfonyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
PubChem CID8759981
Molecular FormulaC23H30N2O3S
Molecular Weight414.57 g/mol
Exact Mass414.20
IUPAC Name1-(3,4-dimethylphenyl)sulfonyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
SMILESCc1cc(C)c(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)c(C)c1
InChIInChI=1S/C23H30N2O3S/c1-15-12-18(4)22(19(5)13-15)24-23(26)20-8-10-25(11-9-20)29(27,28)21-7-6-16(2)17(3)14-21/h6-7,12-14,20H,8-11H2,1-5H3,(H,24,26)
InChIKeyXONLYUCLUKQQCV-UHFFFAOYSA-N
XLogP4.27
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.57
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dimethylphenyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26894384
1-(4-methylphenyl)sulfonyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 1077687
1-naphthalen-2-ylsulfonyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 5124057
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 26085814
N-[4-(carbamoylamino)phenyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 33151117
1-(3,4-dimethylphenyl)sulfonyl-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 51185436
1-pyridin-3-ylsulfonyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 20851608
N-(4-cyanophenyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26687484
N-(3-acetylphenyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 34830036
N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 4849484
N-(2-acetylphenyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26067539
1-(3,4-dimethylphenyl)sulfonyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 8919419

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)sulfonyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3,4-dimethylphenyl)sulfonyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide (CID 8759981) is 1-(3,4-dimethylphenyl)sulfonyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3,4-dimethylphenyl)sulfonyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3,4-dimethylphenyl)sulfonyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide is Cc1cc(C)c(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)c(C)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)sulfonyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide?
The InChIKey is XONLYUCLUKQQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3S/c1-15-12-18(4)22(19(5)13-15)24-23(26)20-8-10-25(11-9-20)29(27,28)21-7-6-16(2)17(3)14-21/h6-7,12-14,20H,8-11H2,1-5H3,(H,24,26).
What are the key properties of 1-(3,4-dimethylphenyl)sulfonyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide?
1-(3,4-dimethylphenyl)sulfonyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide has a molecular weight of 414.57 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)sulfonyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 8759981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).