3-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2,6-dimethylphenyl)propanamide

C20H26N2O3S — CID 113142405

IUPAC3-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2,6-dimethylphenyl)propanamide
SMILESCc1cc(C)cc(N(CCC(=O)Nc2c(C)cccc2C)S(C)(=O)=O)c1
InChIInChI=1S/C20H26N2O3S/c1-14-11-15(2)13-18(12-14)22(26(5,24)25)10-9-19(23)21-20-16(3)7-6-8-17(20)4/h6-8,11-13H,9-10H2,1-5H3,(H,21,23)
InChIKeyKNHRNMNEMZEZNG-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.72
Rot. Bonds6

About 3-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2,6-dimethylphenyl)propanamide

3-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2,6-dimethylphenyl)propanamide (PubChem CID 113142405) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 3-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2,6-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2,6-dimethylphenyl)propanamide
PubChem CID113142405
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name3-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2,6-dimethylphenyl)propanamide
SMILESCc1cc(C)cc(N(CCC(=O)Nc2c(C)cccc2C)S(C)(=O)=O)c1
InChIInChI=1S/C20H26N2O3S/c1-14-11-15(2)13-18(12-14)22(26(5,24)25)10-9-19(23)21-20-16(3)7-6-8-17(20)4/h6-8,11-13H,9-10H2,1-5H3,(H,21,23)
InChIKeyKNHRNMNEMZEZNG-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-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2,6-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-chloro-4,6-dimethylphenyl)-3-(3-methyl-N-methylsulfonylanilino)propanamide
CID 113141830
4-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2,6-dimethylphenyl)butanamide
CID 53280848
3-(3,5-dimethyl-N-methylsulfonylanilino)-N-(4-methoxyphenyl)propanamide
CID 113142426
N-(2-ethyl-6-methylphenyl)-3-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 113143603
3-(3-methyl-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
CID 113141799
3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(2,6-dimethylphenyl)propanamide
CID 113138157
N-[2-(dimethylamino)ethyl]-3-(3,5-dimethyl-N-methylsulfonylanilino)propanamide
CID 113142352
N-phenyl-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143166
3-(2,6-dimethyl-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)propanamide
CID 113142511
3-(2,4-difluoro-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 113146396
3-(3-cyano-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)propanamide
CID 113146886
2-(N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 113153664

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2,6-dimethylphenyl)propanamide?
The IUPAC name of 3-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2,6-dimethylphenyl)propanamide (CID 113142405) is 3-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2,6-dimethylphenyl)propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2,6-dimethylphenyl)propanamide?
The canonical SMILES for 3-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2,6-dimethylphenyl)propanamide is Cc1cc(C)cc(N(CCC(=O)Nc2c(C)cccc2C)S(C)(=O)=O)c1.
What is the InChIKey of 3-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2,6-dimethylphenyl)propanamide?
The InChIKey is KNHRNMNEMZEZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-14-11-15(2)13-18(12-14)22(26(5,24)25)10-9-19(23)21-20-16(3)7-6-8-17(20)4/h6-8,11-13H,9-10H2,1-5H3,(H,21,23).
What are the key properties of 3-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2,6-dimethylphenyl)propanamide?
3-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2,6-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-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2,6-dimethylphenyl)propanamide is sourced from PubChem (CID 113142405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).