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

C25H28N2O3S — CID 18286925

IUPAC2-[benzyl-(3,4-dimethylphenyl)sulfonylamino]-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)c(C)c2)c(C)c1
InChIInChI=1S/C25H28N2O3S/c1-18-10-13-24(21(4)14-18)26-25(28)17-27(16-22-8-6-5-7-9-22)31(29,30)23-12-11-19(2)20(3)15-23/h5-15H,16-17H2,1-4H3,(H,26,28)
InChIKeyYTBCXJPPQGRTMJ-UHFFFAOYSA-N
MW436.58 g/mol
LogP4.75
Rot. Bonds7

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

2-[benzyl-(3,4-dimethylphenyl)sulfonylamino]-N-(2,4-dimethylphenyl)acetamide (PubChem CID 18286925) has the molecular formula C25H28N2O3S and a molecular weight of 436.58 g/mol. Its IUPAC name is 2-[benzyl-(3,4-dimethylphenyl)sulfonylamino]-N-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[benzyl-(3,4-dimethylphenyl)sulfonylamino]-N-(2,4-dimethylphenyl)acetamide
PubChem CID18286925
Molecular FormulaC25H28N2O3S
Molecular Weight436.58 g/mol
Exact Mass436.18
IUPAC Name2-[benzyl-(3,4-dimethylphenyl)sulfonylamino]-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)c(C)c2)c(C)c1
InChIInChI=1S/C25H28N2O3S/c1-18-10-13-24(21(4)14-18)26-25(28)17-27(16-22-8-6-5-7-9-22)31(29,30)23-12-11-19(2)20(3)15-23/h5-15H,16-17H2,1-4H3,(H,26,28)
InChIKeyYTBCXJPPQGRTMJ-UHFFFAOYSA-N
XLogP4.75
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(2-methyl-5-nitrophenyl)acetamide
CID 21380353
2-[benzenesulfonyl(benzyl)amino]-N-(2-methylphenyl)acetamide
CID 1119922
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide
CID 100789963
2-[benzenesulfonyl(benzyl)amino]-N-(3,4-dimethylphenyl)acetamide
CID 45374154
2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2-methylphenyl)acetamide
CID 126067641
2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(2,4-dimethylphenyl)acetamide
CID 3295282
N-(2,4-dimethylphenyl)-2-[ethyl-(4-methylphenyl)sulfonylamino]acetamide
CID 3955899
2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-(2,4-dimethylphenyl)acetamide
CID 126069329
2-[benzyl-(2,5-dimethylphenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 100781983
2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-naphthalen-1-ylacetamide
CID 1263278
N-(2,5-dimethylphenyl)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1141990
2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2-methylphenyl)acetamide
CID 23824740

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(3,4-dimethylphenyl)sulfonylamino]-N-(2,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[benzyl-(3,4-dimethylphenyl)sulfonylamino]-N-(2,4-dimethylphenyl)acetamide (CID 18286925) is 2-[benzyl-(3,4-dimethylphenyl)sulfonylamino]-N-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[benzyl-(3,4-dimethylphenyl)sulfonylamino]-N-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[benzyl-(3,4-dimethylphenyl)sulfonylamino]-N-(2,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)c(C)c2)c(C)c1.
What is the InChIKey of 2-[benzyl-(3,4-dimethylphenyl)sulfonylamino]-N-(2,4-dimethylphenyl)acetamide?
The InChIKey is YTBCXJPPQGRTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3S/c1-18-10-13-24(21(4)14-18)26-25(28)17-27(16-22-8-6-5-7-9-22)31(29,30)23-12-11-19(2)20(3)15-23/h5-15H,16-17H2,1-4H3,(H,26,28).
What are the key properties of 2-[benzyl-(3,4-dimethylphenyl)sulfonylamino]-N-(2,4-dimethylphenyl)acetamide?
2-[benzyl-(3,4-dimethylphenyl)sulfonylamino]-N-(2,4-dimethylphenyl)acetamide has a molecular weight of 436.58 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(3,4-dimethylphenyl)sulfonylamino]-N-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 18286925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).