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

C24H31N3O3S — CID 24981756

IUPAC1-(2,4-dimethylphenyl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3N3CCCC3)CC2)c(C)c1
InChIInChI=1S/C24H31N3O3S/c1-18-9-10-23(19(2)17-18)31(29,30)27-15-11-20(12-16-27)24(28)25-21-7-3-4-8-22(21)26-13-5-6-14-26/h3-4,7-10,17,20H,5-6,11-16H2,1-2H3,(H,25,28)
InChIKeyHRLIGNZDSOUKNK-UHFFFAOYSA-N
MW441.60 g/mol
LogP3.94
Rot. Bonds5

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

1-(2,4-dimethylphenyl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide (PubChem CID 24981756) has the molecular formula C24H31N3O3S and a molecular weight of 441.60 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
PubChem CID24981756
Molecular FormulaC24H31N3O3S
Molecular Weight441.60 g/mol
Exact Mass441.21
IUPAC Name1-(2,4-dimethylphenyl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3N3CCCC3)CC2)c(C)c1
InChIInChI=1S/C24H31N3O3S/c1-18-9-10-23(19(2)17-18)31(29,30)27-15-11-20(12-16-27)24(28)25-21-7-3-4-8-22(21)26-13-5-6-14-26/h3-4,7-10,17,20H,5-6,11-16H2,1-2H3,(H,25,28)
InChIKeyHRLIGNZDSOUKNK-UHFFFAOYSA-N
XLogP3.94
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.60
LogP ≤ 53.94
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-(2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,4-dimethylphenyl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide (CID 24981756) is 1-(2,4-dimethylphenyl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,4-dimethylphenyl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,4-dimethylphenyl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3N3CCCC3)CC2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide?
The InChIKey is HRLIGNZDSOUKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3S/c1-18-9-10-23(19(2)17-18)31(29,30)27-15-11-20(12-16-27)24(28)25-21-7-3-4-8-22(21)26-13-5-6-14-26/h3-4,7-10,17,20H,5-6,11-16H2,1-2H3,(H,25,28).
What are the key properties of 1-(2,4-dimethylphenyl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide?
1-(2,4-dimethylphenyl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide has a molecular weight of 441.60 g/mol, XLogP of 3.94, 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-(2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 24981756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).