2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide

C17H19FN2O3S — CID 1338023

IUPAC2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide
SMILESCc1ccc(N(CC(=O)Nc2ccc(F)cc2)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C17H19FN2O3S/c1-12-4-9-16(13(2)10-12)20(24(3,22)23)11-17(21)19-15-7-5-14(18)6-8-15/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyUIIIAYIDBAKDKD-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.85
Rot. Bonds5

About 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide

2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide (PubChem CID 1338023) has the molecular formula C17H19FN2O3S and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide
PubChem CID1338023
Molecular FormulaC17H19FN2O3S
Molecular Weight350.42 g/mol
Exact Mass350.11
IUPAC Name2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide
SMILESCc1ccc(N(CC(=O)Nc2ccc(F)cc2)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C17H19FN2O3S/c1-12-4-9-16(13(2)10-12)20(24(3,22)23)11-17(21)19-15-7-5-14(18)6-8-15/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyUIIIAYIDBAKDKD-UHFFFAOYSA-N
XLogP2.85
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide 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

2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(4-iodophenyl)acetamide
CID 998752
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-phenylacetamide
CID 30168671
methyl 4-[[2-(2,4-dimethyl-N-methylsulfonylanilino)acetyl]amino]benzoate
CID 2212453
N-(4-butylphenyl)-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 17201138
N-[4-(cyanomethyl)phenyl]-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 1138681
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43907307
N-(4-chlorophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide
CID 994386
N-(4-acetamidophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide
CID 113153893
N-(2,4-dimethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 1102314
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(2-methylphenyl)acetamide
CID 30168672
N-(4-fluorophenyl)-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide
CID 53280872
2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-fluorophenyl)acetamide
CID 2279264

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide (CID 1338023) is 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide is Cc1ccc(N(CC(=O)Nc2ccc(F)cc2)S(C)(=O)=O)c(C)c1.
What is the InChIKey of 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide?
The InChIKey is UIIIAYIDBAKDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3S/c1-12-4-9-16(13(2)10-12)20(24(3,22)23)11-17(21)19-15-7-5-14(18)6-8-15/h4-10H,11H2,1-3H3,(H,19,21).
What are the key properties of 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide?
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide has a molecular weight of 350.42 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 1338023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).