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

C11H13F3N2OS — CID 61265978

IUPAC2-amino-2-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide
SMILESCC(C)(N)C(=O)Nc1ccccc1SC(F)(F)F
InChIInChI=1S/C11H13F3N2OS/c1-10(2,15)9(17)16-7-5-3-4-6-8(7)18-11(12,13)14/h3-6H,15H2,1-2H3,(H,16,17)
InChIKeyWEYGFKYOWVOYSI-UHFFFAOYSA-N
MW278.30 g/mol
LogP2.97
Rot. Bonds3

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

2-amino-2-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide (PubChem CID 61265978) has the molecular formula C11H13F3N2OS and a molecular weight of 278.30 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide.

Molecular Properties

Compound Name2-amino-2-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide
PubChem CID61265978
Molecular FormulaC11H13F3N2OS
Molecular Weight278.30 g/mol
Exact Mass278.07
IUPAC Name2-amino-2-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide
SMILESCC(C)(N)C(=O)Nc1ccccc1SC(F)(F)F
InChIInChI=1S/C11H13F3N2OS/c1-10(2,15)9(17)16-7-5-3-4-6-8(7)18-11(12,13)14/h3-6H,15H2,1-2H3,(H,16,17)
InChIKeyWEYGFKYOWVOYSI-UHFFFAOYSA-N
XLogP2.97
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-(methylamino)-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide
CID 62836388
3-chloro-2,2-dimethyl-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide
CID 63679036
(2R)-2-amino-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide;hydrochloride
CID 119280396
2-tert-butylsulfanyl-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide
CID 78878752
2-amino-N-(2-iodophenyl)-2-methylpropanamide
CID 61264402
1-amino-N-[2-(trifluoromethylsulfanyl)phenyl]cyclopentane-1-carboxamide
CID 60866344
2-amino-N-[2-(trifluoromethylsulfanyl)phenyl]-1,3-thiazole-4-carboxamide
CID 62788906
(E)-4-oxo-4-[2-(trifluoromethylsulfanyl)anilino]but-2-enoate
CID 6079917
2-amino-2-methyl-N-(2-methylsulfonylphenyl)propanamide
CID 61265607
methyl 2-[2-(trifluoromethylsulfanyl)anilino]butanoate
CID 115352467
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-amino-2-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide?
The IUPAC name of 2-amino-2-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide (CID 61265978) is 2-amino-2-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide.
What is the SMILES notation for 2-amino-2-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide?
The canonical SMILES for 2-amino-2-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide is CC(C)(N)C(=O)Nc1ccccc1SC(F)(F)F.
What is the InChIKey of 2-amino-2-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide?
The InChIKey is WEYGFKYOWVOYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2OS/c1-10(2,15)9(17)16-7-5-3-4-6-8(7)18-11(12,13)14/h3-6H,15H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-2-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide?
2-amino-2-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide has a molecular weight of 278.30 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide is sourced from PubChem (CID 61265978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).