N-(4-cyanophenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide

C21H23N3O3S — CID 113008844

IUPACN-(4-cyanophenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C#N)cc3)CC2)c1
InChIInChI=1S/C21H23N3O3S/c1-15-3-4-16(2)20(13-15)28(26,27)24-11-9-18(10-12-24)21(25)23-19-7-5-17(14-22)6-8-19/h3-8,13,18H,9-12H2,1-2H3,(H,23,25)
InChIKeyFZYSKZMVQKFRSW-UHFFFAOYSA-N
MW397.50 g/mol
LogP3.21
Rot. Bonds4

About N-(4-cyanophenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide

N-(4-cyanophenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 113008844) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-(4-cyanophenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID113008844
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC NameN-(4-cyanophenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C#N)cc3)CC2)c1
InChIInChI=1S/C21H23N3O3S/c1-15-3-4-16(2)20(13-15)28(26,27)24-11-9-18(10-12-24)21(25)23-19-7-5-17(14-22)6-8-19/h3-8,13,18H,9-12H2,1-2H3,(H,23,25)
InChIKeyFZYSKZMVQKFRSW-UHFFFAOYSA-N
XLogP3.21
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyanophenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 100780352
N-(4-cyanophenyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26687484
1-(4-cyanophenyl)sulfonyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 24503873
N-(3,4-dimethylphenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26915423
1-(2,4-dimethylphenyl)sulfonyl-N-(4-hydroxyphenyl)piperidine-4-carboxamide
CID 71540714
1-(2,5-dimethylphenyl)sulfonyl-N-ethylpiperidine-4-carboxamide
CID 27234823
1-(4-tert-butylphenyl)sulfonyl-N-(4-cyanophenyl)piperidine-4-carboxamide
CID 26289870
1-(2,4-dimethylphenyl)sulfonyl-N-[4-(methylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 24687024
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide
CID 46697284
1-(2,4-dimethylphenyl)sulfonyl-N-(4-methylsulfonylphenyl)piperidine-4-carboxamide
CID 26239250
N-(4-acetamidophenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 133254979
N-(4-acetamidophenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 126382202

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide (CID 113008844) is N-(4-cyanophenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide is Cc1ccc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C#N)cc3)CC2)c1.
What is the InChIKey of N-(4-cyanophenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is FZYSKZMVQKFRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-15-3-4-16(2)20(13-15)28(26,27)24-11-9-18(10-12-24)21(25)23-19-7-5-17(14-22)6-8-19/h3-8,13,18H,9-12H2,1-2H3,(H,23,25).
What are the key properties of N-(4-cyanophenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
N-(4-cyanophenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 397.50 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 113008844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).