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

C21H26N2O4S — CID 17391208

IUPAC1-(2,4-dimethylphenyl)sulfonyl-N-(4-methoxyphenyl)piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc1
InChIInChI=1S/C21H26N2O4S/c1-15-4-9-20(16(2)14-15)28(25,26)23-12-10-17(11-13-23)21(24)22-18-5-7-19(27-3)8-6-18/h4-9,14,17H,10-13H2,1-3H3,(H,22,24)
InChIKeyVHBFCSBJPSPTMJ-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.35
Rot. Bonds5

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

1-(2,4-dimethylphenyl)sulfonyl-N-(4-methoxyphenyl)piperidine-4-carboxamide (PubChem CID 17391208) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)sulfonyl-N-(4-methoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)sulfonyl-N-(4-methoxyphenyl)piperidine-4-carboxamide
PubChem CID17391208
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC Name1-(2,4-dimethylphenyl)sulfonyl-N-(4-methoxyphenyl)piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc1
InChIInChI=1S/C21H26N2O4S/c1-15-4-9-20(16(2)14-15)28(25,26)23-12-10-17(11-13-23)21(24)22-18-5-7-19(27-3)8-6-18/h4-9,14,17H,10-13H2,1-3H3,(H,22,24)
InChIKeyVHBFCSBJPSPTMJ-UHFFFAOYSA-N
XLogP3.35
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)sulfonyl-N-(4-methoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,4-dimethylphenyl)sulfonyl-N-(4-methoxyphenyl)piperidine-4-carboxamide (CID 17391208) is 1-(2,4-dimethylphenyl)sulfonyl-N-(4-methoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,4-dimethylphenyl)sulfonyl-N-(4-methoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,4-dimethylphenyl)sulfonyl-N-(4-methoxyphenyl)piperidine-4-carboxamide is COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc1.
What is the InChIKey of 1-(2,4-dimethylphenyl)sulfonyl-N-(4-methoxyphenyl)piperidine-4-carboxamide?
The InChIKey is VHBFCSBJPSPTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-15-4-9-20(16(2)14-15)28(25,26)23-12-10-17(11-13-23)21(24)22-18-5-7-19(27-3)8-6-18/h4-9,14,17H,10-13H2,1-3H3,(H,22,24).
What are the key properties of 1-(2,4-dimethylphenyl)sulfonyl-N-(4-methoxyphenyl)piperidine-4-carboxamide?
1-(2,4-dimethylphenyl)sulfonyl-N-(4-methoxyphenyl)piperidine-4-carboxamide has a molecular weight of 402.52 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)sulfonyl-N-(4-methoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 17391208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).