2-[ethylsulfonyl(methyl)amino]-N-(3-methylphenyl)acetamide

C12H18N2O3S — CID 99818114

IUPAC2-[ethylsulfonyl(methyl)amino]-N-(3-methylphenyl)acetamide
SMILESCCS(=O)(=O)N(C)CC(=O)Nc1cccc(C)c1
InChIInChI=1S/C12H18N2O3S/c1-4-18(16,17)14(3)9-12(15)13-11-7-5-6-10(2)8-11/h5-8H,4,9H2,1-3H3,(H,13,15)
InChIKeyCYRMLOGRRYONES-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.22
Rot. Bonds5

About 2-[ethylsulfonyl(methyl)amino]-N-(3-methylphenyl)acetamide

2-[ethylsulfonyl(methyl)amino]-N-(3-methylphenyl)acetamide (PubChem CID 99818114) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-[ethylsulfonyl(methyl)amino]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[ethylsulfonyl(methyl)amino]-N-(3-methylphenyl)acetamide
PubChem CID99818114
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2-[ethylsulfonyl(methyl)amino]-N-(3-methylphenyl)acetamide
SMILESCCS(=O)(=O)N(C)CC(=O)Nc1cccc(C)c1
InChIInChI=1S/C12H18N2O3S/c1-4-18(16,17)14(3)9-12(15)13-11-7-5-6-10(2)8-11/h5-8H,4,9H2,1-3H3,(H,13,15)
InChIKeyCYRMLOGRRYONES-UHFFFAOYSA-N
XLogP1.22
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-2-[ethylsulfonyl(methyl)amino]acetamide
CID 99818118
2-[ethylsulfonyl(methyl)amino]-N-(3-nitrophenyl)acetamide
CID 99818120
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-methylphenyl)acetamide
CID 9341591
2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(3-methylphenyl)acetamide
CID 26217725
N-[3-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]phenyl]propanamide
CID 38024472
N-(3-fluorophenyl)-2-[methyl-[2-(3-methylanilino)-2-oxoethyl]amino]acetamide
CID 2658590
N-methyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 35553197
ethyl 1-methyl-4-[methyl-[2-(3-methylanilino)-2-oxoethyl]sulfamoyl]pyrrole-2-carboxylate
CID 46284046
N-[3-(dimethylsulfamoyl)phenyl]-2-(3-methylanilino)acetamide
CID 51178270
N-(3-acetamidophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 27055361
N-(3,5-dimethoxyphenyl)-2-[ethylsulfonyl(methyl)amino]acetamide
CID 71924471
3-[ethyl-[2-(3-methylanilino)-2-oxoethyl]amino]propanoic acid
CID 61009921

Frequently Asked Questions

What is the IUPAC name of 2-[ethylsulfonyl(methyl)amino]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[ethylsulfonyl(methyl)amino]-N-(3-methylphenyl)acetamide (CID 99818114) is 2-[ethylsulfonyl(methyl)amino]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[ethylsulfonyl(methyl)amino]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[ethylsulfonyl(methyl)amino]-N-(3-methylphenyl)acetamide is CCS(=O)(=O)N(C)CC(=O)Nc1cccc(C)c1.
What is the InChIKey of 2-[ethylsulfonyl(methyl)amino]-N-(3-methylphenyl)acetamide?
The InChIKey is CYRMLOGRRYONES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-4-18(16,17)14(3)9-12(15)13-11-7-5-6-10(2)8-11/h5-8H,4,9H2,1-3H3,(H,13,15).
What are the key properties of 2-[ethylsulfonyl(methyl)amino]-N-(3-methylphenyl)acetamide?
2-[ethylsulfonyl(methyl)amino]-N-(3-methylphenyl)acetamide has a molecular weight of 270.35 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethylsulfonyl(methyl)amino]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 99818114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).