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

C22H22N2O4S — CID 4241588

IUPAC2-[benzenesulfonyl(methyl)amino]-N-(4-phenylmethoxyphenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H22N2O4S/c1-24(29(26,27)21-10-6-3-7-11-21)16-22(25)23-19-12-14-20(15-13-19)28-17-18-8-4-2-5-9-18/h2-15H,16-17H2,1H3,(H,23,25)
InChIKeyDWYHTPXEWDYWQV-UHFFFAOYSA-N
MW410.50 g/mol
LogP3.52
Rot. Bonds8

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

2-[benzenesulfonyl(methyl)amino]-N-(4-phenylmethoxyphenyl)acetamide (PubChem CID 4241588) has the molecular formula C22H22N2O4S and a molecular weight of 410.50 g/mol. Its IUPAC name is 2-[benzenesulfonyl(methyl)amino]-N-(4-phenylmethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(methyl)amino]-N-(4-phenylmethoxyphenyl)acetamide
PubChem CID4241588
Molecular FormulaC22H22N2O4S
Molecular Weight410.50 g/mol
Exact Mass410.13
IUPAC Name2-[benzenesulfonyl(methyl)amino]-N-(4-phenylmethoxyphenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H22N2O4S/c1-24(29(26,27)21-10-6-3-7-11-21)16-22(25)23-19-12-14-20(15-13-19)28-17-18-8-4-2-5-9-18/h2-15H,16-17H2,1H3,(H,23,25)
InChIKeyDWYHTPXEWDYWQV-UHFFFAOYSA-N
XLogP3.52
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(4-phenylmethoxyphenyl)acetamide
CID 45373757
2-[benzenesulfonyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 26944736
2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-(4-phenylmethoxyphenyl)acetamide
CID 51343230
2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-phenylmethoxyphenyl)acetamide
CID 51343828
2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-(4-phenylmethoxyphenyl)acetamide
CID 99951086
2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(4-phenylmethoxyphenyl)acetamide
CID 51344771
2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(4-methoxyphenyl)acetamide
CID 3318426
2-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylacetamide
CID 2178261
2-[acetyl(benzyl)amino]-N-(4-phenylmethoxyphenyl)acetamide
CID 113161318
2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(4-phenylmethoxyphenyl)acetamide
CID 1002068
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(4-phenylmethoxyphenyl)acetamide
CID 113160544
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)acetamide
CID 2695434

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-(4-phenylmethoxyphenyl)acetamide?
The IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-(4-phenylmethoxyphenyl)acetamide (CID 4241588) is 2-[benzenesulfonyl(methyl)amino]-N-(4-phenylmethoxyphenyl)acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(methyl)amino]-N-(4-phenylmethoxyphenyl)acetamide?
The canonical SMILES for 2-[benzenesulfonyl(methyl)amino]-N-(4-phenylmethoxyphenyl)acetamide is CN(CC(=O)Nc1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(methyl)amino]-N-(4-phenylmethoxyphenyl)acetamide?
The InChIKey is DWYHTPXEWDYWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4S/c1-24(29(26,27)21-10-6-3-7-11-21)16-22(25)23-19-12-14-20(15-13-19)28-17-18-8-4-2-5-9-18/h2-15H,16-17H2,1H3,(H,23,25).
What are the key properties of 2-[benzenesulfonyl(methyl)amino]-N-(4-phenylmethoxyphenyl)acetamide?
2-[benzenesulfonyl(methyl)amino]-N-(4-phenylmethoxyphenyl)acetamide has a molecular weight of 410.50 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(methyl)amino]-N-(4-phenylmethoxyphenyl)acetamide is sourced from PubChem (CID 4241588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).