N-(3-cyanophenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide

C21H23N3O3S — CID 100780352

IUPACN-(3-cyanophenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1
InChIInChI=1S/C21H23N3O3S/c1-15-6-7-16(2)20(12-15)28(26,27)24-10-8-18(9-11-24)21(25)23-19-5-3-4-17(13-19)14-22/h3-7,12-13,18H,8-11H2,1-2H3,(H,23,25)
InChIKeyHGTKAUWBXOMMMM-UHFFFAOYSA-N
MW397.50 g/mol
LogP3.21
Rot. Bonds4

About N-(3-cyanophenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide

N-(3-cyanophenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 100780352) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-(3-cyanophenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID100780352
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC NameN-(3-cyanophenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1
InChIInChI=1S/C21H23N3O3S/c1-15-6-7-16(2)20(12-15)28(26,27)24-10-8-18(9-11-24)21(25)23-19-5-3-4-17(13-19)14-22/h3-7,12-13,18H,8-11H2,1-2H3,(H,23,25)
InChIKeyHGTKAUWBXOMMMM-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-(4-cyanophenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 113008844
N-(3-cyanophenyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxamide
CID 26727729
1-N-(3-chloro-4-methylphenyl)-4-N-(3-cyanophenyl)cyclohexane-1,4-dicarboxamide
CID 109151001
N-(3-bromophenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26914002
N-(3,4-dimethylphenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26915423
1-(2,5-dimethylphenyl)sulfonyl-N-ethylpiperidine-4-carboxamide
CID 27234823
N-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]cyclohexanecarboxamide
CID 46429907
N-[3-(1,1-difluoroethyl)phenyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 139012594
1-(4-cyanophenyl)sulfonyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 24503873
(2S)-2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-N-(3-cyanophenyl)propanamide
CID 25392666
1-(2-cyanophenyl)sulfonyl-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide
CID 9081274
N-(3-ethylphenyl)-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide
CID 26795902

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide (CID 100780352) is N-(3-cyanophenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide is Cc1ccc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1.
What is the InChIKey of N-(3-cyanophenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is HGTKAUWBXOMMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-15-6-7-16(2)20(12-15)28(26,27)24-10-8-18(9-11-24)21(25)23-19-5-3-4-17(13-19)14-22/h3-7,12-13,18H,8-11H2,1-2H3,(H,23,25).
What are the key properties of N-(3-cyanophenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
N-(3-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-(3-cyanophenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 100780352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).