1-(2,5-dimethoxyphenyl)sulfonyl-N-(2,5-dimethylphenyl)piperidine-4-carboxamide

C22H28N2O5S — CID 1091421

IUPAC1-(2,5-dimethoxyphenyl)sulfonyl-N-(2,5-dimethylphenyl)piperidine-4-carboxamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)Nc3cc(C)ccc3C)CC2)c1
InChIInChI=1S/C22H28N2O5S/c1-15-5-6-16(2)19(13-15)23-22(25)17-9-11-24(12-10-17)30(26,27)21-14-18(28-3)7-8-20(21)29-4/h5-8,13-14,17H,9-12H2,1-4H3,(H,23,25)
InChIKeyYKZANTUMDLBCNJ-UHFFFAOYSA-N
MW432.54 g/mol
LogP3.36
Rot. Bonds6

About 1-(2,5-dimethoxyphenyl)sulfonyl-N-(2,5-dimethylphenyl)piperidine-4-carboxamide

1-(2,5-dimethoxyphenyl)sulfonyl-N-(2,5-dimethylphenyl)piperidine-4-carboxamide (PubChem CID 1091421) has the molecular formula C22H28N2O5S and a molecular weight of 432.54 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)sulfonyl-N-(2,5-dimethylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)sulfonyl-N-(2,5-dimethylphenyl)piperidine-4-carboxamide
PubChem CID1091421
Molecular FormulaC22H28N2O5S
Molecular Weight432.54 g/mol
Exact Mass432.17
IUPAC Name1-(2,5-dimethoxyphenyl)sulfonyl-N-(2,5-dimethylphenyl)piperidine-4-carboxamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)Nc3cc(C)ccc3C)CC2)c1
InChIInChI=1S/C22H28N2O5S/c1-15-5-6-16(2)19(13-15)23-22(25)17-9-11-24(12-10-17)30(26,27)21-14-18(28-3)7-8-20(21)29-4/h5-8,13-14,17H,9-12H2,1-4H3,(H,23,25)
InChIKeyYKZANTUMDLBCNJ-UHFFFAOYSA-N
XLogP3.36
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.54
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-N-(2,5-dimethylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-N-(2,5-dimethylphenyl)piperidine-4-carboxamide (CID 1091421) is 1-(2,5-dimethoxyphenyl)sulfonyl-N-(2,5-dimethylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)sulfonyl-N-(2,5-dimethylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)sulfonyl-N-(2,5-dimethylphenyl)piperidine-4-carboxamide is COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)Nc3cc(C)ccc3C)CC2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)sulfonyl-N-(2,5-dimethylphenyl)piperidine-4-carboxamide?
The InChIKey is YKZANTUMDLBCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5S/c1-15-5-6-16(2)19(13-15)23-22(25)17-9-11-24(12-10-17)30(26,27)21-14-18(28-3)7-8-20(21)29-4/h5-8,13-14,17H,9-12H2,1-4H3,(H,23,25).
What are the key properties of 1-(2,5-dimethoxyphenyl)sulfonyl-N-(2,5-dimethylphenyl)piperidine-4-carboxamide?
1-(2,5-dimethoxyphenyl)sulfonyl-N-(2,5-dimethylphenyl)piperidine-4-carboxamide has a molecular weight of 432.54 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)sulfonyl-N-(2,5-dimethylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 1091421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).