3-(2,6-dimethyl-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)propanamide

C20H26N2O3S — CID 113142511

IUPAC3-(2,6-dimethyl-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCN(c2c(C)cccc2C)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C20H26N2O3S/c1-14-9-10-18(17(4)13-14)21-19(23)11-12-22(26(5,24)25)20-15(2)7-6-8-16(20)3/h6-10,13H,11-12H2,1-5H3,(H,21,23)
InChIKeyKKAIHIATGGBFPP-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.72
Rot. Bonds6

About 3-(2,6-dimethyl-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)propanamide

3-(2,6-dimethyl-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)propanamide (PubChem CID 113142511) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 3-(2,6-dimethyl-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-(2,6-dimethyl-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)propanamide
PubChem CID113142511
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name3-(2,6-dimethyl-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCN(c2c(C)cccc2C)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C20H26N2O3S/c1-14-9-10-18(17(4)13-14)21-19(23)11-12-22(26(5,24)25)20-15(2)7-6-8-16(20)3/h6-10,13H,11-12H2,1-5H3,(H,21,23)
InChIKeyKKAIHIATGGBFPP-UHFFFAOYSA-N
XLogP3.72
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2,6-dimethyl-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)propanamide 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-(2,4-dimethylphenyl)-3-(2-methyl-N-methylsulfonylanilino)propanamide
CID 113141664
3-(2,6-difluoro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113147158
N-(4-methylphenyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143169
N-(4-chloro-2-methylphenyl)-3-(2,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 113142091
N-(2,4-dimethylphenyl)-3-(N-methylsulfonyl-4-propan-2-ylanilino)propanamide
CID 113143094
N-phenyl-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143166
3-(2,6-diethyl-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide
CID 113143230
3-(2,6-dimethyl-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113142554
2-(2,6-diethyl-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)acetamide
CID 113154437
N-(4-chloro-2-methylphenyl)-3-(2-methyl-N-methylsulfonylanilino)propanamide
CID 113141688
N-(2,4-dimethylphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 51343025
3-(2,4-dimethyl-N-methylsulfonylanilino)-N-(2-fluorophenyl)propanamide
CID 113142084

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethyl-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)propanamide?
The IUPAC name of 3-(2,6-dimethyl-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)propanamide (CID 113142511) is 3-(2,6-dimethyl-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)propanamide.
What is the SMILES notation for 3-(2,6-dimethyl-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)propanamide?
The canonical SMILES for 3-(2,6-dimethyl-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)propanamide is Cc1ccc(NC(=O)CCN(c2c(C)cccc2C)S(C)(=O)=O)c(C)c1.
What is the InChIKey of 3-(2,6-dimethyl-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)propanamide?
The InChIKey is KKAIHIATGGBFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-14-9-10-18(17(4)13-14)21-19(23)11-12-22(26(5,24)25)20-15(2)7-6-8-16(20)3/h6-10,13H,11-12H2,1-5H3,(H,21,23).
What are the key properties of 3-(2,6-dimethyl-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)propanamide?
3-(2,6-dimethyl-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)propanamide has a molecular weight of 374.51 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethyl-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)propanamide is sourced from PubChem (CID 113142511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).