2-(2,4-dimethylanilino)-N-(4-methylsulfonylphenyl)acetamide

C17H20N2O3S — CID 42026326

IUPAC2-(2,4-dimethylanilino)-N-(4-methylsulfonylphenyl)acetamide
SMILESCc1ccc(NCC(=O)Nc2ccc(S(C)(=O)=O)cc2)c(C)c1
InChIInChI=1S/C17H20N2O3S/c1-12-4-9-16(13(2)10-12)18-11-17(20)19-14-5-7-15(8-6-14)23(3,21)22/h4-10,18H,11H2,1-3H3,(H,19,20)
InChIKeyJVDGUYQVWNEJBE-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.76
Rot. Bonds5

About 2-(2,4-dimethylanilino)-N-(4-methylsulfonylphenyl)acetamide

2-(2,4-dimethylanilino)-N-(4-methylsulfonylphenyl)acetamide (PubChem CID 42026326) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-(2,4-dimethylanilino)-N-(4-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylanilino)-N-(4-methylsulfonylphenyl)acetamide
PubChem CID42026326
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name2-(2,4-dimethylanilino)-N-(4-methylsulfonylphenyl)acetamide
SMILESCc1ccc(NCC(=O)Nc2ccc(S(C)(=O)=O)cc2)c(C)c1
InChIInChI=1S/C17H20N2O3S/c1-12-4-9-16(13(2)10-12)18-11-17(20)19-14-5-7-15(8-6-14)23(3,21)22/h4-10,18H,11H2,1-3H3,(H,19,20)
InChIKeyJVDGUYQVWNEJBE-UHFFFAOYSA-N
XLogP2.76
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2,4-dimethylanilino)-N-(4-methylsulfonylphenyl)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-dimethylanilino)-N-(4-ethoxyphenyl)acetamide
CID 9081080
2-(2,4-dimethylphenoxy)-N-(4-methylsulfonylphenyl)acetamide
CID 26239246
2-(4-chloro-2-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
CID 22304049
2-(2-methoxyanilino)-N-(4-methylsulfonylphenyl)acetamide
CID 42026319
2-(2-acetylanilino)-N-(4-methylsulfonylphenyl)acetamide
CID 42027103
N-(3,4-dimethoxyphenyl)-2-(2,4-dimethylanilino)acetamide
CID 9081068
N-(4-methylsulfonylphenyl)-2-(naphthalen-1-ylamino)acetamide
CID 42026353
2-[[(1S)-1-(2,5-dimethylphenyl)ethyl]amino]-N-(4-methylsulfonylphenyl)acetamide
CID 26008027
2-(2-chloro-4-methylanilino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 4789173
4-[[2-(2,4-dimethylanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54811628
2-(3-acetamido-4-fluoroanilino)-N-(4-methylsulfonylphenyl)acetamide
CID 31773469
2-[5-(dimethylsulfamoyl)-2-methylanilino]-N-(4-methylphenyl)acetamide
CID 9100484

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylanilino)-N-(4-methylsulfonylphenyl)acetamide?
The IUPAC name of 2-(2,4-dimethylanilino)-N-(4-methylsulfonylphenyl)acetamide (CID 42026326) is 2-(2,4-dimethylanilino)-N-(4-methylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(2,4-dimethylanilino)-N-(4-methylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(2,4-dimethylanilino)-N-(4-methylsulfonylphenyl)acetamide is Cc1ccc(NCC(=O)Nc2ccc(S(C)(=O)=O)cc2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylanilino)-N-(4-methylsulfonylphenyl)acetamide?
The InChIKey is JVDGUYQVWNEJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-12-4-9-16(13(2)10-12)18-11-17(20)19-14-5-7-15(8-6-14)23(3,21)22/h4-10,18H,11H2,1-3H3,(H,19,20).
What are the key properties of 2-(2,4-dimethylanilino)-N-(4-methylsulfonylphenyl)acetamide?
2-(2,4-dimethylanilino)-N-(4-methylsulfonylphenyl)acetamide has a molecular weight of 332.43 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylanilino)-N-(4-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 42026326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).