2-[benzenesulfonyl(benzyl)amino]-N-(3,4-dimethylphenyl)acetamide

C23H24N2O3S — CID 45374154

IUPAC2-[benzenesulfonyl(benzyl)amino]-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1C
InChIInChI=1S/C23H24N2O3S/c1-18-13-14-21(15-19(18)2)24-23(26)17-25(16-20-9-5-3-6-10-20)29(27,28)22-11-7-4-8-12-22/h3-15H,16-17H2,1-2H3,(H,24,26)
InChIKeyCTIKRJZBUPGZTF-UHFFFAOYSA-N
MW408.52 g/mol
LogP4.13
Rot. Bonds7

About 2-[benzenesulfonyl(benzyl)amino]-N-(3,4-dimethylphenyl)acetamide

2-[benzenesulfonyl(benzyl)amino]-N-(3,4-dimethylphenyl)acetamide (PubChem CID 45374154) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is 2-[benzenesulfonyl(benzyl)amino]-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(benzyl)amino]-N-(3,4-dimethylphenyl)acetamide
PubChem CID45374154
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC Name2-[benzenesulfonyl(benzyl)amino]-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1C
InChIInChI=1S/C23H24N2O3S/c1-18-13-14-21(15-19(18)2)24-23(26)17-25(16-20-9-5-3-6-10-20)29(27,28)22-11-7-4-8-12-22/h3-15H,16-17H2,1-2H3,(H,24,26)
InChIKeyCTIKRJZBUPGZTF-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl(methylsulfonyl)amino]-N-(3,4-dimethylphenyl)acetamide
CID 838547
2-[benzenesulfonyl(benzyl)amino]-N-(4-methylphenyl)acetamide
CID 2854852
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(3,4-dimethylphenyl)acetamide
CID 4537352
2-[benzenesulfonyl(benzyl)amino]-N-(2-methylphenyl)acetamide
CID 1119922
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(4-iodophenyl)acetamide
CID 1209132
2-[benzyl-(3,4-dimethylphenyl)sulfonylamino]-N-(2,4-dimethylphenyl)acetamide
CID 18286925
2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-(3,4-dimethoxyphenyl)acetamide
CID 126058112
2-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-(3-methoxyphenyl)acetamide
CID 126011407
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-phenylacetamide
CID 23913704
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 126093141
2-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1330301
N-(3-chloro-4-methylphenyl)-2-[(3-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]acetamide
CID 126065992

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(benzyl)amino]-N-(3,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[benzenesulfonyl(benzyl)amino]-N-(3,4-dimethylphenyl)acetamide (CID 45374154) is 2-[benzenesulfonyl(benzyl)amino]-N-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(benzyl)amino]-N-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[benzenesulfonyl(benzyl)amino]-N-(3,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1C.
What is the InChIKey of 2-[benzenesulfonyl(benzyl)amino]-N-(3,4-dimethylphenyl)acetamide?
The InChIKey is CTIKRJZBUPGZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-18-13-14-21(15-19(18)2)24-23(26)17-25(16-20-9-5-3-6-10-20)29(27,28)22-11-7-4-8-12-22/h3-15H,16-17H2,1-2H3,(H,24,26).
What are the key properties of 2-[benzenesulfonyl(benzyl)amino]-N-(3,4-dimethylphenyl)acetamide?
2-[benzenesulfonyl(benzyl)amino]-N-(3,4-dimethylphenyl)acetamide has a molecular weight of 408.52 g/mol, XLogP of 4.13, 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-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 45374154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).