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

C22H22N2O3S — CID 2854852

IUPAC2-[benzenesulfonyl(benzyl)amino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H22N2O3S/c1-18-12-14-20(15-13-18)23-22(25)17-24(16-19-8-4-2-5-9-19)28(26,27)21-10-6-3-7-11-21/h2-15H,16-17H2,1H3,(H,23,25)
InChIKeyNJAQNANCRORWMX-UHFFFAOYSA-N
MW394.50 g/mol
LogP3.82
Rot. Bonds7

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

2-[benzenesulfonyl(benzyl)amino]-N-(4-methylphenyl)acetamide (PubChem CID 2854852) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is 2-[benzenesulfonyl(benzyl)amino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(benzyl)amino]-N-(4-methylphenyl)acetamide
PubChem CID2854852
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC Name2-[benzenesulfonyl(benzyl)amino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H22N2O3S/c1-18-12-14-20(15-13-18)23-22(25)17-24(16-19-8-4-2-5-9-19)28(26,27)21-10-6-3-7-11-21/h2-15H,16-17H2,1H3,(H,23,25)
InChIKeyNJAQNANCRORWMX-UHFFFAOYSA-N
XLogP3.82
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(4-iodophenyl)acetamide
CID 1209132
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 126093141
2-[benzenesulfonyl(benzyl)amino]-N-(3,4-dimethylphenyl)acetamide
CID 45374154
ethyl 2-[4-[[2-[benzyl-(4-methylphenyl)sulfonylamino]acetyl]amino]phenyl]acetate
CID 100789939
2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(4-phenoxyphenyl)acetamide
CID 126068032
2-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-(3-methoxyphenyl)acetamide
CID 126011407
2-[benzenesulfonyl(benzyl)amino]-N-(2-methylphenyl)acetamide
CID 1119922
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-phenylacetamide
CID 23913704
N-(4-acetamidophenyl)-2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126083352
2-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1330301
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(4-ethylphenyl)acetamide
CID 22781566
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 3114020

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(benzyl)amino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[benzenesulfonyl(benzyl)amino]-N-(4-methylphenyl)acetamide (CID 2854852) is 2-[benzenesulfonyl(benzyl)amino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(benzyl)amino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[benzenesulfonyl(benzyl)amino]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[benzenesulfonyl(benzyl)amino]-N-(4-methylphenyl)acetamide?
The InChIKey is NJAQNANCRORWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-18-12-14-20(15-13-18)23-22(25)17-24(16-19-8-4-2-5-9-19)28(26,27)21-10-6-3-7-11-21/h2-15H,16-17H2,1H3,(H,23,25).
What are the key properties of 2-[benzenesulfonyl(benzyl)amino]-N-(4-methylphenyl)acetamide?
2-[benzenesulfonyl(benzyl)amino]-N-(4-methylphenyl)acetamide has a molecular weight of 394.50 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(benzyl)amino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 2854852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).