2-methyl-2-phenyl-N-(trifluoromethylsulfonyl)propanamide

C11H12F3NO3S — CID 155170790

IUPAC2-methyl-2-phenyl-N-(trifluoromethylsulfonyl)propanamide
SMILESCC(C)(C(=O)NS(=O)(=O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C11H12F3NO3S/c1-10(2,8-6-4-3-5-7-8)9(16)15-19(17,18)11(12,13)14/h3-7H,1-2H3,(H,15,16)
InChIKeyPZIJAUVUVWPDCG-UHFFFAOYSA-N
MW295.28 g/mol
LogP1.93
Rot. Bonds3

About 2-methyl-2-phenyl-N-(trifluoromethylsulfonyl)propanamide

2-methyl-2-phenyl-N-(trifluoromethylsulfonyl)propanamide (PubChem CID 155170790) has the molecular formula C11H12F3NO3S and a molecular weight of 295.28 g/mol. Its IUPAC name is 2-methyl-2-phenyl-N-(trifluoromethylsulfonyl)propanamide.

Molecular Properties

Compound Name2-methyl-2-phenyl-N-(trifluoromethylsulfonyl)propanamide
PubChem CID155170790
Molecular FormulaC11H12F3NO3S
Molecular Weight295.28 g/mol
Exact Mass295.05
IUPAC Name2-methyl-2-phenyl-N-(trifluoromethylsulfonyl)propanamide
SMILESCC(C)(C(=O)NS(=O)(=O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C11H12F3NO3S/c1-10(2,8-6-4-3-5-7-8)9(16)15-19(17,18)11(12,13)14/h3-7H,1-2H3,(H,15,16)
InChIKeyPZIJAUVUVWPDCG-UHFFFAOYSA-N
XLogP1.93
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.28
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(4-nitrophenyl)sulfonyl-2-phenylpropanamide
CID 102037094
N-(trifluoromethylsulfonyl)benzamide
CID 12023043
N-(4-cyanophenyl)sulfonyl-2-methyl-2-phenylpropanamide
CID 51086068
N-methoxy-2-methyl-2-phenylpropanamide
CID 60717949
2-methyl-2-phenyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 103730656
magnesium bis(2-methyl-2-phenylpropanoate)
CID 141248278
sodium 2-methyl-2-phenylpropanoate
CID 141248267
3-anilino-N-(trifluoromethylsulfonyl)propanamide
CID 155621410
N-(3,5-difluorophenyl)-2-methyl-2-phenylpropanamide
CID 47126345
N-(2-hydroxy-2-methylbutyl)-2-methyl-2-phenylpropanamide
CID 65114444
N-[(2-methyl-2-phenylpropanoyl)amino]formamide
CID 71020555
2-methyl-N-(3-oxopentan-2-yl)-2-phenylpropanamide
CID 64991894

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-phenyl-N-(trifluoromethylsulfonyl)propanamide?
The IUPAC name of 2-methyl-2-phenyl-N-(trifluoromethylsulfonyl)propanamide (CID 155170790) is 2-methyl-2-phenyl-N-(trifluoromethylsulfonyl)propanamide.
What is the SMILES notation for 2-methyl-2-phenyl-N-(trifluoromethylsulfonyl)propanamide?
The canonical SMILES for 2-methyl-2-phenyl-N-(trifluoromethylsulfonyl)propanamide is CC(C)(C(=O)NS(=O)(=O)C(F)(F)F)c1ccccc1.
What is the InChIKey of 2-methyl-2-phenyl-N-(trifluoromethylsulfonyl)propanamide?
The InChIKey is PZIJAUVUVWPDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO3S/c1-10(2,8-6-4-3-5-7-8)9(16)15-19(17,18)11(12,13)14/h3-7H,1-2H3,(H,15,16).
What are the key properties of 2-methyl-2-phenyl-N-(trifluoromethylsulfonyl)propanamide?
2-methyl-2-phenyl-N-(trifluoromethylsulfonyl)propanamide has a molecular weight of 295.28 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-phenyl-N-(trifluoromethylsulfonyl)propanamide is sourced from PubChem (CID 155170790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).