N-(2,6-dimethylphenyl)-2-(3-methyl-N-methylsulfonylanilino)propanamide

C19H24N2O3S — CID 132654304

IUPACN-(2,6-dimethylphenyl)-2-(3-methyl-N-methylsulfonylanilino)propanamide
SMILESCc1cccc(N(C(C)C(=O)Nc2c(C)cccc2C)S(C)(=O)=O)c1
InChIInChI=1S/C19H24N2O3S/c1-13-8-6-11-17(12-13)21(25(5,23)24)16(4)19(22)20-18-14(2)9-7-10-15(18)3/h6-12,16H,1-5H3,(H,20,22)
InChIKeyCHNOCPLOCONTQF-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.41
Rot. Bonds5

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

N-(2,6-dimethylphenyl)-2-(3-methyl-N-methylsulfonylanilino)propanamide (PubChem CID 132654304) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-(3-methyl-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-(3-methyl-N-methylsulfonylanilino)propanamide
PubChem CID132654304
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC NameN-(2,6-dimethylphenyl)-2-(3-methyl-N-methylsulfonylanilino)propanamide
SMILESCc1cccc(N(C(C)C(=O)Nc2c(C)cccc2C)S(C)(=O)=O)c1
InChIInChI=1S/C19H24N2O3S/c1-13-8-6-11-17(12-13)21(25(5,23)24)16(4)19(22)20-18-14(2)9-7-10-15(18)3/h6-12,16H,1-5H3,(H,20,22)
InChIKeyCHNOCPLOCONTQF-UHFFFAOYSA-N
XLogP3.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,6-dimethylphenyl)-2-(3-methyl-N-methylsulfonylanilino)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-(2,6-dimethylphenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 53288098
(2S)-N-(2,6-dimethylphenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 99132583
2-(3-fluoro-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 132656825
(2R)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 126413893
(2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide
CID 126386881
(2S)-N-cyclopentyl-2-(3-methyl-N-methylsulfonylanilino)propanamide
CID 95118270
(2S)-2-(3-chloro-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)propanamide
CID 124561308
2-(4-fluoro-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 84894608
2-(3-chloro-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide
CID 53281520
2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 132665763
N-(4-chloro-2,5-dimethoxyphenyl)-2-(3-methyl-N-methylsulfonylanilino)propanamide
CID 132668096
2-(3-methyl-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 133165715

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-(3-methyl-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-(3-methyl-N-methylsulfonylanilino)propanamide (CID 132654304) is N-(2,6-dimethylphenyl)-2-(3-methyl-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-(3-methyl-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-(3-methyl-N-methylsulfonylanilino)propanamide is Cc1cccc(N(C(C)C(=O)Nc2c(C)cccc2C)S(C)(=O)=O)c1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-(3-methyl-N-methylsulfonylanilino)propanamide?
The InChIKey is CHNOCPLOCONTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-13-8-6-11-17(12-13)21(25(5,23)24)16(4)19(22)20-18-14(2)9-7-10-15(18)3/h6-12,16H,1-5H3,(H,20,22).
What are the key properties of N-(2,6-dimethylphenyl)-2-(3-methyl-N-methylsulfonylanilino)propanamide?
N-(2,6-dimethylphenyl)-2-(3-methyl-N-methylsulfonylanilino)propanamide has a molecular weight of 360.48 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-(3-methyl-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 132654304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).