N-[(4-methylsulfonylphenyl)methyl]-2-(2-phenylethyl)benzamide

C23H23NO3S — CID 60553593

IUPACN-[(4-methylsulfonylphenyl)methyl]-2-(2-phenylethyl)benzamide
SMILESCS(=O)(=O)c1ccc(CNC(=O)c2ccccc2CCc2ccccc2)cc1
InChIInChI=1S/C23H23NO3S/c1-28(26,27)21-15-12-19(13-16-21)17-24-23(25)22-10-6-5-9-20(22)14-11-18-7-3-2-4-8-18/h2-10,12-13,15-16H,11,14,17H2,1H3,(H,24,25)
InChIKeyZBPNLGKGWHMIQQ-UHFFFAOYSA-N
MW393.51 g/mol
LogP3.81
Rot. Bonds7

About N-[(4-methylsulfonylphenyl)methyl]-2-(2-phenylethyl)benzamide

N-[(4-methylsulfonylphenyl)methyl]-2-(2-phenylethyl)benzamide (PubChem CID 60553593) has the molecular formula C23H23NO3S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-[(4-methylsulfonylphenyl)methyl]-2-(2-phenylethyl)benzamide.

Molecular Properties

Compound NameN-[(4-methylsulfonylphenyl)methyl]-2-(2-phenylethyl)benzamide
PubChem CID60553593
Molecular FormulaC23H23NO3S
Molecular Weight393.51 g/mol
Exact Mass393.14
IUPAC NameN-[(4-methylsulfonylphenyl)methyl]-2-(2-phenylethyl)benzamide
SMILESCS(=O)(=O)c1ccc(CNC(=O)c2ccccc2CCc2ccccc2)cc1
InChIInChI=1S/C23H23NO3S/c1-28(26,27)21-15-12-19(13-16-21)17-24-23(25)22-10-6-5-9-20(22)14-11-18-7-3-2-4-8-18/h2-10,12-13,15-16H,11,14,17H2,1H3,(H,24,25)
InChIKeyZBPNLGKGWHMIQQ-UHFFFAOYSA-N
XLogP3.81
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(4-methylsulfonylphenyl)acetamide
CID 110771278
2-(2-phenylethyl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 52541663
2-[(2-bromobenzoyl)amino]-N-[(4-methylsulfonylphenyl)methyl]benzamide
CID 60553703
N-[2-(dimethylamino)ethyl]-2-(2-phenylethyl)benzamide
CID 71396924
2-(2-phenylethyl)-N-prop-2-enylbenzamide
CID 2228922
N-[(4-hydroxyphenyl)methyl]-2-[2-(methylamino)ethyl]benzamide
CID 114332137
N-[(4-methylsulfonylphenyl)methyl]-2-phenoxyacetamide
CID 110784498
N-[2-(ethylamino)ethyl]-2-(2-phenylethyl)benzamide;hydrochloride
CID 119507829
4-[[(2-benzylbenzoyl)amino]methyl]benzoic acid
CID 45426449
2-[(4-methylsulfonylphenyl)methylamino]benzoic acid
CID 62232382
N-[2-(methylamino)propyl]-2-(2-phenylethyl)benzamide;hydrochloride
CID 120831456
2-methyl-1-[(4-methylsulfonylphenyl)methyl]-3-(3-phenylpropyl)guanidine
CID 111199230

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylsulfonylphenyl)methyl]-2-(2-phenylethyl)benzamide?
The IUPAC name of N-[(4-methylsulfonylphenyl)methyl]-2-(2-phenylethyl)benzamide (CID 60553593) is N-[(4-methylsulfonylphenyl)methyl]-2-(2-phenylethyl)benzamide.
What is the SMILES notation for N-[(4-methylsulfonylphenyl)methyl]-2-(2-phenylethyl)benzamide?
The canonical SMILES for N-[(4-methylsulfonylphenyl)methyl]-2-(2-phenylethyl)benzamide is CS(=O)(=O)c1ccc(CNC(=O)c2ccccc2CCc2ccccc2)cc1.
What is the InChIKey of N-[(4-methylsulfonylphenyl)methyl]-2-(2-phenylethyl)benzamide?
The InChIKey is ZBPNLGKGWHMIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3S/c1-28(26,27)21-15-12-19(13-16-21)17-24-23(25)22-10-6-5-9-20(22)14-11-18-7-3-2-4-8-18/h2-10,12-13,15-16H,11,14,17H2,1H3,(H,24,25).
What are the key properties of N-[(4-methylsulfonylphenyl)methyl]-2-(2-phenylethyl)benzamide?
N-[(4-methylsulfonylphenyl)methyl]-2-(2-phenylethyl)benzamide has a molecular weight of 393.51 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylsulfonylphenyl)methyl]-2-(2-phenylethyl)benzamide is sourced from PubChem (CID 60553593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).