2-(4-ethyl-N-methylsulfonylanilino)-N-methylacetamide

C12H18N2O3S — CID 892680

IUPAC2-(4-ethyl-N-methylsulfonylanilino)-N-methylacetamide
SMILESCCc1ccc(N(CC(=O)NC)S(C)(=O)=O)cc1
InChIInChI=1S/C12H18N2O3S/c1-4-10-5-7-11(8-6-10)14(18(3,16)17)9-12(15)13-2/h5-8H,4,9H2,1-3H3,(H,13,15)
InChIKeyLUORUFWQMTWYON-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.76
Rot. Bonds5

About 2-(4-ethyl-N-methylsulfonylanilino)-N-methylacetamide

2-(4-ethyl-N-methylsulfonylanilino)-N-methylacetamide (PubChem CID 892680) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-(4-ethyl-N-methylsulfonylanilino)-N-methylacetamide.

Molecular Properties

Compound Name2-(4-ethyl-N-methylsulfonylanilino)-N-methylacetamide
PubChem CID892680
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2-(4-ethyl-N-methylsulfonylanilino)-N-methylacetamide
SMILESCCc1ccc(N(CC(=O)NC)S(C)(=O)=O)cc1
InChIInChI=1S/C12H18N2O3S/c1-4-10-5-7-11(8-6-10)14(18(3,16)17)9-12(15)13-2/h5-8H,4,9H2,1-3H3,(H,13,15)
InChIKeyLUORUFWQMTWYON-UHFFFAOYSA-N
XLogP0.76
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 ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-ethyl-N-methylsulfonylanilino)-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(4-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
CID 3107635
2-(4-ethylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 164621917
N-(2,4-Dimethyl-phenyl)-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)-methanesulfonamide
CID 846829
2-(4-fluoro-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 846944
2-[cyclohexyl(methylsulfonyl)amino]-N-(2,6-dimethylphenyl)acetamide
CID 848402
2-[cyclohexyl(methylsulfonyl)amino]-N-(2-ethylphenyl)acetamide
CID 848403
N-(2-Oxo-2-pyrrolidin-1-yl-ethyl)-N-m-tolyl-methanesulfonamide
CID 1076842
N-[2-(4-Benzyl-piperazin-1-yl)-2-oxo-ethyl]-N-(4-isopropyl-phenyl)-methanesulfonamide
CID 1135728
2-[benzyl(methylsulfonyl)amino]-N-(2,6-difluorophenyl)acetamide
CID 1315348
2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(3-fluoro-4-methylphenyl)acetamide
CID 2539057
N-(4-acetamidophenyl)-2-(N-ethyl-2-phenylethenesulfonamido)acetamide
CID 2546747
N-(2-Azepan-1-yl-2-oxo-ethyl)-N-o-tolyl-methanesulfonamide
CID 2898569

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-N-methylsulfonylanilino)-N-methylacetamide?
The IUPAC name of 2-(4-ethyl-N-methylsulfonylanilino)-N-methylacetamide (CID 892680) is 2-(4-ethyl-N-methylsulfonylanilino)-N-methylacetamide.
What is the SMILES notation for 2-(4-ethyl-N-methylsulfonylanilino)-N-methylacetamide?
The canonical SMILES for 2-(4-ethyl-N-methylsulfonylanilino)-N-methylacetamide is CCc1ccc(N(CC(=O)NC)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-ethyl-N-methylsulfonylanilino)-N-methylacetamide?
The InChIKey is LUORUFWQMTWYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-4-10-5-7-11(8-6-10)14(18(3,16)17)9-12(15)13-2/h5-8H,4,9H2,1-3H3,(H,13,15).
What are the key properties of 2-(4-ethyl-N-methylsulfonylanilino)-N-methylacetamide?
2-(4-ethyl-N-methylsulfonylanilino)-N-methylacetamide has a molecular weight of 270.35 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-N-methylsulfonylanilino)-N-methylacetamide is sourced from PubChem (CID 892680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).