N-(3,4-dimethylphenyl)-2-[ethylsulfonyl(methyl)amino]acetamide

C13H20N2O3S — CID 99818118

IUPACN-(3,4-dimethylphenyl)-2-[ethylsulfonyl(methyl)amino]acetamide
SMILESCCS(=O)(=O)N(C)CC(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C13H20N2O3S/c1-5-19(17,18)15(4)9-13(16)14-12-7-6-10(2)11(3)8-12/h6-8H,5,9H2,1-4H3,(H,14,16)
InChIKeyXJUIBHJJFOFBID-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.52
Rot. Bonds5

About N-(3,4-dimethylphenyl)-2-[ethylsulfonyl(methyl)amino]acetamide

N-(3,4-dimethylphenyl)-2-[ethylsulfonyl(methyl)amino]acetamide (PubChem CID 99818118) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[ethylsulfonyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[ethylsulfonyl(methyl)amino]acetamide
PubChem CID99818118
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-(3,4-dimethylphenyl)-2-[ethylsulfonyl(methyl)amino]acetamide
SMILESCCS(=O)(=O)N(C)CC(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C13H20N2O3S/c1-5-19(17,18)15(4)9-13(16)14-12-7-6-10(2)11(3)8-12/h6-8H,5,9H2,1-4H3,(H,14,16)
InChIKeyXJUIBHJJFOFBID-UHFFFAOYSA-N
XLogP1.52
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethylsulfonyl(methyl)amino]-N-(3-methylphenyl)acetamide
CID 99818114
2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(3,4-dimethylphenyl)acetamide
CID 17027740
N-(3,4-dimethylphenyl)-2-(N-ethylsulfonyl-4-methoxyanilino)acetamide
CID 4136271
N-(3,4-dimethylphenyl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 4548442
N-(3,4-dimethylphenyl)-2-[methylsulfonyl(propan-2-yl)amino]acetamide
CID 113147743
N-(3-chloro-4-methylphenyl)-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464468
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[ethylsulfonyl(methyl)amino]acetamide
CID 100784760
2-(butylamino)-N-(3,4-dimethylphenyl)acetamide
CID 54815382
N-(3,5-dimethoxyphenyl)-2-[ethylsulfonyl(methyl)amino]acetamide
CID 71924471
2-[2-aminoethyl(methyl)amino]-N-(3,4-dimethylphenyl)acetamide
CID 62687003
N-(4-acetamidophenyl)-2-[[2-(3,4-dimethylanilino)-2-oxoethyl]-ethylamino]acetamide
CID 8779925
2-[ethylsulfonyl(methyl)amino]-N-(3-nitrophenyl)acetamide
CID 99818120

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[ethylsulfonyl(methyl)amino]acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[ethylsulfonyl(methyl)amino]acetamide (CID 99818118) is N-(3,4-dimethylphenyl)-2-[ethylsulfonyl(methyl)amino]acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[ethylsulfonyl(methyl)amino]acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[ethylsulfonyl(methyl)amino]acetamide is CCS(=O)(=O)N(C)CC(=O)Nc1ccc(C)c(C)c1.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[ethylsulfonyl(methyl)amino]acetamide?
The InChIKey is XJUIBHJJFOFBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-5-19(17,18)15(4)9-13(16)14-12-7-6-10(2)11(3)8-12/h6-8H,5,9H2,1-4H3,(H,14,16).
What are the key properties of N-(3,4-dimethylphenyl)-2-[ethylsulfonyl(methyl)amino]acetamide?
N-(3,4-dimethylphenyl)-2-[ethylsulfonyl(methyl)amino]acetamide has a molecular weight of 284.38 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-[ethylsulfonyl(methyl)amino]acetamide is sourced from PubChem (CID 99818118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).