3-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-phenylethyl)benzamide

C23H24N2O3S — CID 12064193

IUPAC3-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-phenylethyl)benzamide
SMILESCc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)NCCc3ccccc3)c2)cc1
InChIInChI=1S/C23H24N2O3S/c1-18-11-13-22(14-12-18)29(27,28)25(2)21-10-6-9-20(17-21)23(26)24-16-15-19-7-4-3-5-8-19/h3-14,17H,15-16H2,1-2H3,(H,24,26)
InChIKeyIHGQPLWMEZXRJR-UHFFFAOYSA-N
MW408.52 g/mol
LogP3.79
Rot. Bonds7

About 3-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-phenylethyl)benzamide

3-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-phenylethyl)benzamide (PubChem CID 12064193) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is 3-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name3-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-phenylethyl)benzamide
PubChem CID12064193
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC Name3-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-phenylethyl)benzamide
SMILESCc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)NCCc3ccccc3)c2)cc1
InChIInChI=1S/C23H24N2O3S/c1-18-11-13-22(14-12-18)29(27,28)25(2)21-10-6-9-20(17-21)23(26)24-16-15-19-7-4-3-5-8-19/h3-14,17H,15-16H2,1-2H3,(H,24,26)
InChIKeyIHGQPLWMEZXRJR-UHFFFAOYSA-N
XLogP3.79
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[methyl(phenyl)sulfamoyl]-N-(4-phenylbutyl)benzamide
CID 18207252
N-[(4-methylphenyl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 4801142
N-butan-2-yl-3-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 132654284
3-[methyl(propan-2-yl)sulfamoyl]-N-(2-phenylethyl)benzamide
CID 26913083
4-[ethyl(phenyl)sulfamoyl]-N-(2-phenylethyl)benzamide
CID 4797803
3-[methyl-(4-methylphenyl)sulfamoyl]-N-(4-phenylbutan-2-yl)benzamide
CID 132670833
3-(dimethylamino)-N-(3-phenylpropyl)benzamide
CID 25335787
4-[methyl(phenyl)sulfamoyl]-N-propylbenzamide
CID 2432115
N-(3-methylbutyl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 2677261
3-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]benzamide
CID 110790612
4-[methyl-(4-methylphenyl)sulfonylamino]-N-(4-phenylbutan-2-yl)benzamide
CID 24538311
3-(2-phenylethylcarbamoyl)benzenesulfonyl chloride
CID 110823487

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-phenylethyl)benzamide?
The IUPAC name of 3-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-phenylethyl)benzamide (CID 12064193) is 3-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 3-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-phenylethyl)benzamide?
The canonical SMILES for 3-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-phenylethyl)benzamide is Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)NCCc3ccccc3)c2)cc1.
What is the InChIKey of 3-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-phenylethyl)benzamide?
The InChIKey is IHGQPLWMEZXRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-18-11-13-22(14-12-18)29(27,28)25(2)21-10-6-9-20(17-21)23(26)24-16-15-19-7-4-3-5-8-19/h3-14,17H,15-16H2,1-2H3,(H,24,26).
What are the key properties of 3-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-phenylethyl)benzamide?
3-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-phenylethyl)benzamide has a molecular weight of 408.52 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 12064193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).