2-methyl-2-(methylamino)-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide

C12H15F3N2OS — CID 62836388

IUPAC2-methyl-2-(methylamino)-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide
SMILESCNC(C)(C)C(=O)Nc1ccccc1SC(F)(F)F
InChIInChI=1S/C12H15F3N2OS/c1-11(2,16-3)10(18)17-8-6-4-5-7-9(8)19-12(13,14)15/h4-7,16H,1-3H3,(H,17,18)
InChIKeyOSCFKCOEEBFESY-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.23
Rot. Bonds4

About 2-methyl-2-(methylamino)-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide

2-methyl-2-(methylamino)-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide (PubChem CID 62836388) has the molecular formula C12H15F3N2OS and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide
PubChem CID62836388
Molecular FormulaC12H15F3N2OS
Molecular Weight292.33 g/mol
Exact Mass292.09
IUPAC Name2-methyl-2-(methylamino)-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide
SMILESCNC(C)(C)C(=O)Nc1ccccc1SC(F)(F)F
InChIInChI=1S/C12H15F3N2OS/c1-11(2,16-3)10(18)17-8-6-4-5-7-9(8)19-12(13,14)15/h4-7,16H,1-3H3,(H,17,18)
InChIKeyOSCFKCOEEBFESY-UHFFFAOYSA-N
XLogP3.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-2-(methylamino)-N-[2-(trifluoromethylsulfanyl)phenyl]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

2-amino-2-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide
CID 61265978
3-chloro-2,2-dimethyl-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide
CID 63679036
2-methyl-2-(methylamino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 62834657
N-(2-cyclopentylsulfanylphenyl)-2-methyl-2-(methylamino)propanamide
CID 62835848
2-tert-butylsulfanyl-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide
CID 78878752
(2R)-2-amino-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide;hydrochloride
CID 119280396
N-(2-chlorophenyl)-2-methyl-2-(methylamino)propanamide
CID 62835426
2-methyl-2-(methylamino)-N-(2-sulfamoylphenyl)propanamide
CID 62845991
(E)-4-oxo-4-[2-(trifluoromethylsulfanyl)anilino]but-2-enoate
CID 6079917
2-methyl-2-(methylamino)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]propanamide
CID 55121879
4-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-4-carboxamide
CID 63121910
2,5-dibromo-N-[2-(trifluoromethylsulfanyl)phenyl]thiophene-3-carboxamide
CID 107962087

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide?
The IUPAC name of 2-methyl-2-(methylamino)-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide (CID 62836388) is 2-methyl-2-(methylamino)-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide.
What is the SMILES notation for 2-methyl-2-(methylamino)-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide?
The canonical SMILES for 2-methyl-2-(methylamino)-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide is CNC(C)(C)C(=O)Nc1ccccc1SC(F)(F)F.
What is the InChIKey of 2-methyl-2-(methylamino)-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide?
The InChIKey is OSCFKCOEEBFESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2OS/c1-11(2,16-3)10(18)17-8-6-4-5-7-9(8)19-12(13,14)15/h4-7,16H,1-3H3,(H,17,18).
What are the key properties of 2-methyl-2-(methylamino)-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide?
2-methyl-2-(methylamino)-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide has a molecular weight of 292.33 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide is sourced from PubChem (CID 62836388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).