2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(2-ethylsulfanylphenyl)acetamide

C24H26N2O3S2 — CID 92646351

IUPAC2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(2-ethylsulfanylphenyl)acetamide
SMILESCCSc1ccccc1NC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H26N2O3S2/c1-4-30-23-13-9-8-12-21(23)25-24(27)17-26(22-15-14-18(2)16-19(22)3)31(28,29)20-10-6-5-7-11-20/h5-16H,4,17H2,1-3H3,(H,25,27)
InChIKeyXNBMLULSSQQQTJ-UHFFFAOYSA-N
MW454.62 g/mol
LogP5.25
Rot. Bonds8

About 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(2-ethylsulfanylphenyl)acetamide

2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(2-ethylsulfanylphenyl)acetamide (PubChem CID 92646351) has the molecular formula C24H26N2O3S2 and a molecular weight of 454.62 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(2-ethylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(2-ethylsulfanylphenyl)acetamide
PubChem CID92646351
Molecular FormulaC24H26N2O3S2
Molecular Weight454.62 g/mol
Exact Mass454.14
IUPAC Name2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(2-ethylsulfanylphenyl)acetamide
SMILESCCSc1ccccc1NC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H26N2O3S2/c1-4-30-23-13-9-8-12-21(23)25-24(27)17-26(22-15-14-18(2)16-19(22)3)31(28,29)20-10-6-5-7-11-20/h5-16H,4,17H2,1-3H3,(H,25,27)
InChIKeyXNBMLULSSQQQTJ-UHFFFAOYSA-N
XLogP5.25
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.62
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylsulfanylphenyl)-2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 92681759
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]acetamide
CID 43892948
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(5-chloro-2-methylphenyl)acetamide
CID 51343222
N-(2-ethylsulfanylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30275463
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[(1R)-1-phenylethyl]acetamide
CID 2271193
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(2,6-dimethylphenyl)acetamide
CID 1095221
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-tert-butylacetamide
CID 2270999
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(4-iodophenyl)acetamide
CID 1361630
2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-ethylsulfanylphenyl)acetamide
CID 30306819
2-[[2-[N-(benzenesulfonyl)-2,4-dimethylanilino]acetyl]amino]-N-cyclohexylbenzamide
CID 126035099
2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-ethylphenyl)acetamide
CID 30172363
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[(4-methylphenyl)methyl]acetamide
CID 1335965

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(2-ethylsulfanylphenyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(2-ethylsulfanylphenyl)acetamide (CID 92646351) is 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(2-ethylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(2-ethylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(2-ethylsulfanylphenyl)acetamide is CCSc1ccccc1NC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(2-ethylsulfanylphenyl)acetamide?
The InChIKey is XNBMLULSSQQQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S2/c1-4-30-23-13-9-8-12-21(23)25-24(27)17-26(22-15-14-18(2)16-19(22)3)31(28,29)20-10-6-5-7-11-20/h5-16H,4,17H2,1-3H3,(H,25,27).
What are the key properties of 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(2-ethylsulfanylphenyl)acetamide?
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(2-ethylsulfanylphenyl)acetamide has a molecular weight of 454.62 g/mol, XLogP of 5.25, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(2-ethylsulfanylphenyl)acetamide is sourced from PubChem (CID 92646351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).