3-(4-cyanophenyl)-2-methyl-N-(4-piperidin-1-ylsulfonylphenyl)benzamide

C26H25N3O3S — CID 25124783

IUPAC3-(4-cyanophenyl)-2-methyl-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
SMILESCc1c(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cccc1-c1ccc(C#N)cc1
InChIInChI=1S/C26H25N3O3S/c1-19-24(21-10-8-20(18-27)9-11-21)6-5-7-25(19)26(30)28-22-12-14-23(15-13-22)33(31,32)29-16-3-2-4-17-29/h5-15H,2-4,16-17H2,1H3,(H,28,30)
InChIKeyCHAYKXOWFDHCNR-UHFFFAOYSA-N
MW459.57 g/mol
LogP4.96
Rot. Bonds5

About 3-(4-cyanophenyl)-2-methyl-N-(4-piperidin-1-ylsulfonylphenyl)benzamide

3-(4-cyanophenyl)-2-methyl-N-(4-piperidin-1-ylsulfonylphenyl)benzamide (PubChem CID 25124783) has the molecular formula C26H25N3O3S and a molecular weight of 459.57 g/mol. Its IUPAC name is 3-(4-cyanophenyl)-2-methyl-N-(4-piperidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name3-(4-cyanophenyl)-2-methyl-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
PubChem CID25124783
Molecular FormulaC26H25N3O3S
Molecular Weight459.57 g/mol
Exact Mass459.16
IUPAC Name3-(4-cyanophenyl)-2-methyl-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
SMILESCc1c(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cccc1-c1ccc(C#N)cc1
InChIInChI=1S/C26H25N3O3S/c1-19-24(21-10-8-20(18-27)9-11-21)6-5-7-25(19)26(30)28-22-12-14-23(15-13-22)33(31,32)29-16-3-2-4-17-29/h5-15H,2-4,16-17H2,1H3,(H,28,30)
InChIKeyCHAYKXOWFDHCNR-UHFFFAOYSA-N
XLogP4.96
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.57
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methylbenzamide
CID 1010223
2-iodo-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 1010360
2-fluoro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 1086858
N-(4-cyanophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 43889711
4-(azepan-1-ylsulfonyl)-N-[4-[4-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]phenyl]phenyl]benzamide
CID 3537523
N-[4-(azepan-1-ylsulfonyl)phenyl]-2,3-dimethoxybenzamide
CID 51556740
N-(4-cyanophenyl)-2,3-dimethylbenzamide
CID 24705905
N-(3-cyanophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 2710397
2,4,5-trimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 100709394
N-[4-(azepan-1-ylsulfonyl)phenyl]-2,4-dimethylbenzamide
CID 26931358
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 1007928
(2R)-2-(4-cyanophenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 7503277

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanophenyl)-2-methyl-N-(4-piperidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 3-(4-cyanophenyl)-2-methyl-N-(4-piperidin-1-ylsulfonylphenyl)benzamide (CID 25124783) is 3-(4-cyanophenyl)-2-methyl-N-(4-piperidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 3-(4-cyanophenyl)-2-methyl-N-(4-piperidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 3-(4-cyanophenyl)-2-methyl-N-(4-piperidin-1-ylsulfonylphenyl)benzamide is Cc1c(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cccc1-c1ccc(C#N)cc1.
What is the InChIKey of 3-(4-cyanophenyl)-2-methyl-N-(4-piperidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is CHAYKXOWFDHCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3S/c1-19-24(21-10-8-20(18-27)9-11-21)6-5-7-25(19)26(30)28-22-12-14-23(15-13-22)33(31,32)29-16-3-2-4-17-29/h5-15H,2-4,16-17H2,1H3,(H,28,30).
What are the key properties of 3-(4-cyanophenyl)-2-methyl-N-(4-piperidin-1-ylsulfonylphenyl)benzamide?
3-(4-cyanophenyl)-2-methyl-N-(4-piperidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 459.57 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyanophenyl)-2-methyl-N-(4-piperidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 25124783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).