2-[N-methyl-4-sulfamoyl-2-(trifluoromethyl)anilino]-N-(2,4,6-trimethylphenyl)acetamide

C19H22F3N3O3S — CID 133359127

IUPAC2-[N-methyl-4-sulfamoyl-2-(trifluoromethyl)anilino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN(C)c2ccc(S(N)(=O)=O)cc2C(F)(F)F)c(C)c1
InChIInChI=1S/C19H22F3N3O3S/c1-11-7-12(2)18(13(3)8-11)24-17(26)10-25(4)16-6-5-14(29(23,27)28)9-15(16)19(20,21)22/h5-9H,10H2,1-4H3,(H,24,26)(H2,23,27,28)
InChIKeyRRBKGUKOFFWTLI-UHFFFAOYSA-N
MW429.46 g/mol
LogP3.35
Rot. Bonds5

About 2-[N-methyl-4-sulfamoyl-2-(trifluoromethyl)anilino]-N-(2,4,6-trimethylphenyl)acetamide

2-[N-methyl-4-sulfamoyl-2-(trifluoromethyl)anilino]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 133359127) has the molecular formula C19H22F3N3O3S and a molecular weight of 429.46 g/mol. Its IUPAC name is 2-[N-methyl-4-sulfamoyl-2-(trifluoromethyl)anilino]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[N-methyl-4-sulfamoyl-2-(trifluoromethyl)anilino]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID133359127
Molecular FormulaC19H22F3N3O3S
Molecular Weight429.46 g/mol
Exact Mass429.13
IUPAC Name2-[N-methyl-4-sulfamoyl-2-(trifluoromethyl)anilino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN(C)c2ccc(S(N)(=O)=O)cc2C(F)(F)F)c(C)c1
InChIInChI=1S/C19H22F3N3O3S/c1-11-7-12(2)18(13(3)8-11)24-17(26)10-25(4)16-6-5-14(29(23,27)28)9-15(16)19(20,21)22/h5-9H,10H2,1-4H3,(H,24,26)(H2,23,27,28)
InChIKeyRRBKGUKOFFWTLI-UHFFFAOYSA-N
XLogP3.35
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.46
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[N-methyl-4-sulfamoyl-2-(trifluoromethyl)anilino]-N-(2,4,6-trimethylphenyl)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

N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-(4-sulfamoylphenyl)acetamide
CID 56540885
N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-(trifluoromethyl)benzamide
CID 27783992
2-(4-cyano-2-fluoro-N-methylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 133339045
4-[methyl(2-methylbutyl)amino]-3-(trifluoromethyl)benzenesulfonamide
CID 133321695
2-(2-chloro-N-methyl-4-nitroanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 9185774
2-(4-chloro-N-methyl-2-nitroanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 9185746
2-[methyl(methylsulfonyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 30464677
2-(dimethylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 138400573
4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-(trifluoromethyl)benzenesulfonamide
CID 154735971
N-(2,3-dimethylphenyl)-2-(N-methyl-2-nitro-4-sulfamoylanilino)acetamide
CID 18281198
2-[[4-(2-methoxyethoxy)phenyl]sulfonyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 35393691
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 46801955

Frequently Asked Questions

What is the IUPAC name of 2-[N-methyl-4-sulfamoyl-2-(trifluoromethyl)anilino]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[N-methyl-4-sulfamoyl-2-(trifluoromethyl)anilino]-N-(2,4,6-trimethylphenyl)acetamide (CID 133359127) is 2-[N-methyl-4-sulfamoyl-2-(trifluoromethyl)anilino]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[N-methyl-4-sulfamoyl-2-(trifluoromethyl)anilino]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[N-methyl-4-sulfamoyl-2-(trifluoromethyl)anilino]-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CN(C)c2ccc(S(N)(=O)=O)cc2C(F)(F)F)c(C)c1.
What is the InChIKey of 2-[N-methyl-4-sulfamoyl-2-(trifluoromethyl)anilino]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is RRBKGUKOFFWTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O3S/c1-11-7-12(2)18(13(3)8-11)24-17(26)10-25(4)16-6-5-14(29(23,27)28)9-15(16)19(20,21)22/h5-9H,10H2,1-4H3,(H,24,26)(H2,23,27,28).
What are the key properties of 2-[N-methyl-4-sulfamoyl-2-(trifluoromethyl)anilino]-N-(2,4,6-trimethylphenyl)acetamide?
2-[N-methyl-4-sulfamoyl-2-(trifluoromethyl)anilino]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 429.46 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-methyl-4-sulfamoyl-2-(trifluoromethyl)anilino]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 133359127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).