2-methyl-N-(2-phenylphenyl)-5-piperidin-1-ylsulfonylbenzamide

C25H26N2O3S — CID 26727569

IUPAC2-methyl-N-(2-phenylphenyl)-5-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C25H26N2O3S/c1-19-14-15-21(31(29,30)27-16-8-3-9-17-27)18-23(19)25(28)26-24-13-7-6-12-22(24)20-10-4-2-5-11-20/h2,4-7,10-15,18H,3,8-9,16-17H2,1H3,(H,26,28)
InChIKeyUKSANGUTOYCQCT-UHFFFAOYSA-N
MW434.56 g/mol
LogP5.09
Rot. Bonds5

About 2-methyl-N-(2-phenylphenyl)-5-piperidin-1-ylsulfonylbenzamide

2-methyl-N-(2-phenylphenyl)-5-piperidin-1-ylsulfonylbenzamide (PubChem CID 26727569) has the molecular formula C25H26N2O3S and a molecular weight of 434.56 g/mol. Its IUPAC name is 2-methyl-N-(2-phenylphenyl)-5-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-methyl-N-(2-phenylphenyl)-5-piperidin-1-ylsulfonylbenzamide
PubChem CID26727569
Molecular FormulaC25H26N2O3S
Molecular Weight434.56 g/mol
Exact Mass434.17
IUPAC Name2-methyl-N-(2-phenylphenyl)-5-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C25H26N2O3S/c1-19-14-15-21(31(29,30)27-16-8-3-9-17-27)18-23(19)25(28)26-24-13-7-6-12-22(24)20-10-4-2-5-11-20/h2,4-7,10-15,18H,3,8-9,16-17H2,1H3,(H,26,28)
InChIKeyUKSANGUTOYCQCT-UHFFFAOYSA-N
XLogP5.09
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.56
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(2-phenylphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 26727587
5-(azepan-1-ylsulfonyl)-2-methyl-N-(2-methylphenyl)benzamide
CID 53281813
N-(2-ethylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 8839499
N-(2,3-dimethylphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26538419
3-(azepan-1-ylsulfonyl)-N-(2-phenylphenyl)benzamide
CID 26727547
5-(azepan-1-ylsulfonyl)-N-(2,4-dimethylphenyl)-2-methylbenzamide
CID 53281830
2-methyl-N-(6-methyl-2-phenylpyrimidin-4-yl)-5-piperidin-1-ylsulfonylbenzamide
CID 167880912
N-(5-amino-2-methylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide;hydrochloride
CID 120568671
2-methyl-5-piperidin-1-ylsulfonyl-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 26706661
N-(3,5-dimethylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 29176549
N-(4-fluoro-2-methylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 26239904
2-bromo-N-(2-methylphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 1216575

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-phenylphenyl)-5-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of 2-methyl-N-(2-phenylphenyl)-5-piperidin-1-ylsulfonylbenzamide (CID 26727569) is 2-methyl-N-(2-phenylphenyl)-5-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 2-methyl-N-(2-phenylphenyl)-5-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for 2-methyl-N-(2-phenylphenyl)-5-piperidin-1-ylsulfonylbenzamide is Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccccc1-c1ccccc1.
What is the InChIKey of 2-methyl-N-(2-phenylphenyl)-5-piperidin-1-ylsulfonylbenzamide?
The InChIKey is UKSANGUTOYCQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3S/c1-19-14-15-21(31(29,30)27-16-8-3-9-17-27)18-23(19)25(28)26-24-13-7-6-12-22(24)20-10-4-2-5-11-20/h2,4-7,10-15,18H,3,8-9,16-17H2,1H3,(H,26,28).
What are the key properties of 2-methyl-N-(2-phenylphenyl)-5-piperidin-1-ylsulfonylbenzamide?
2-methyl-N-(2-phenylphenyl)-5-piperidin-1-ylsulfonylbenzamide has a molecular weight of 434.56 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-phenylphenyl)-5-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 26727569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).