2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-(4-methylphenyl)acetamide

C22H22N2O3S — CID 100787567

IUPAC2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cc2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C22H22N2O3S/c1-17-8-12-19(13-9-17)23-22(25)16-18-10-14-20(15-11-18)24(2)28(26,27)21-6-4-3-5-7-21/h3-15H,16H2,1-2H3,(H,23,25)
InChIKeyJSPAWFCTJAJVDL-UHFFFAOYSA-N
MW394.50 g/mol
LogP4.00
Rot. Bonds6

About 2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-(4-methylphenyl)acetamide

2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-(4-methylphenyl)acetamide (PubChem CID 100787567) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is 2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-(4-methylphenyl)acetamide
PubChem CID100787567
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC Name2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cc2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C22H22N2O3S/c1-17-8-12-19(13-9-17)23-22(25)16-18-10-14-20(15-11-18)24(2)28(26,27)21-6-4-3-5-7-21/h3-15H,16H2,1-2H3,(H,23,25)
InChIKeyJSPAWFCTJAJVDL-UHFFFAOYSA-N
XLogP4.00
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[[2-[4-[benzenesulfonyl(methyl)amino]phenyl]acetyl]amino]phenyl]acetamide
CID 100787401
N-(4-ethylphenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 100788011
2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-(4-propan-2-ylphenyl)acetamide
CID 100787598
2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(4-methylphenyl)acetamide
CID 17247012
N-(4-chlorophenyl)-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]acetamide
CID 100788537
2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 100787346
2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-[4-(1-cyanocyclopropyl)phenyl]acetamide
CID 100787409
2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-(2-fluorophenyl)acetamide
CID 100787608
N-(3-cyanophenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 100787848
N-(2,4-dimethylphenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 100787996
2-(4-methylphenyl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide
CID 9224098
2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(4-phenoxyphenyl)acetamide
CID 17247227

Frequently Asked Questions

What is the IUPAC name of 2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-(4-methylphenyl)acetamide (CID 100787567) is 2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)Cc2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of 2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-(4-methylphenyl)acetamide?
The InChIKey is JSPAWFCTJAJVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-17-8-12-19(13-9-17)23-22(25)16-18-10-14-20(15-11-18)24(2)28(26,27)21-6-4-3-5-7-21/h3-15H,16H2,1-2H3,(H,23,25).
What are the key properties of 2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-(4-methylphenyl)acetamide?
2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-(4-methylphenyl)acetamide has a molecular weight of 394.50 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 100787567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).