1-(2,4-dimethylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide

C23H30N2O3S — CID 26641666

IUPAC1-(2,4-dimethylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C(C)C)cc3)CC2)c(C)c1
InChIInChI=1S/C23H30N2O3S/c1-16(2)19-6-8-21(9-7-19)24-23(26)20-11-13-25(14-12-20)29(27,28)22-10-5-17(3)15-18(22)4/h5-10,15-16,20H,11-14H2,1-4H3,(H,24,26)
InChIKeyLLIRRZHLWWMSKX-UHFFFAOYSA-N
MW414.57 g/mol
LogP4.47
Rot. Bonds5

About 1-(2,4-dimethylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide

1-(2,4-dimethylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide (PubChem CID 26641666) has the molecular formula C23H30N2O3S and a molecular weight of 414.57 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
PubChem CID26641666
Molecular FormulaC23H30N2O3S
Molecular Weight414.57 g/mol
Exact Mass414.20
IUPAC Name1-(2,4-dimethylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C(C)C)cc3)CC2)c(C)c1
InChIInChI=1S/C23H30N2O3S/c1-16(2)19-6-8-21(9-7-19)24-23(26)20-11-13-25(14-12-20)29(27,28)22-10-5-17(3)15-18(22)4/h5-10,15-16,20H,11-14H2,1-4H3,(H,24,26)
InChIKeyLLIRRZHLWWMSKX-UHFFFAOYSA-N
XLogP4.47
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.57
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,4-dimethylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide (CID 26641666) is 1-(2,4-dimethylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,4-dimethylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,4-dimethylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C(C)C)cc3)CC2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide?
The InChIKey is LLIRRZHLWWMSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3S/c1-16(2)19-6-8-21(9-7-19)24-23(26)20-11-13-25(14-12-20)29(27,28)22-10-5-17(3)15-18(22)4/h5-10,15-16,20H,11-14H2,1-4H3,(H,24,26).
What are the key properties of 1-(2,4-dimethylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide?
1-(2,4-dimethylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide has a molecular weight of 414.57 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 26641666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).