2-amino-3,3,3-trifluoro-2-methyl-N-[2-(methylsulfamoyl)phenyl]propanamide

C11H14F3N3O3S — CID 79789955

IUPAC2-amino-3,3,3-trifluoro-2-methyl-N-[2-(methylsulfamoyl)phenyl]propanamide
SMILESCNS(=O)(=O)c1ccccc1NC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C11H14F3N3O3S/c1-10(15,11(12,13)14)9(18)17-7-5-3-4-6-8(7)21(19,20)16-2/h3-6,16H,15H2,1-2H3,(H,17,18)
InChIKeyHKDXZIQJBNRREO-UHFFFAOYSA-N
MW325.31 g/mol
LogP0.81
Rot. Bonds4

About 2-amino-3,3,3-trifluoro-2-methyl-N-[2-(methylsulfamoyl)phenyl]propanamide

2-amino-3,3,3-trifluoro-2-methyl-N-[2-(methylsulfamoyl)phenyl]propanamide (PubChem CID 79789955) has the molecular formula C11H14F3N3O3S and a molecular weight of 325.31 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-2-methyl-N-[2-(methylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-2-methyl-N-[2-(methylsulfamoyl)phenyl]propanamide
PubChem CID79789955
Molecular FormulaC11H14F3N3O3S
Molecular Weight325.31 g/mol
Exact Mass325.07
IUPAC Name2-amino-3,3,3-trifluoro-2-methyl-N-[2-(methylsulfamoyl)phenyl]propanamide
SMILESCNS(=O)(=O)c1ccccc1NC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C11H14F3N3O3S/c1-10(15,11(12,13)14)9(18)17-7-5-3-4-6-8(7)21(19,20)16-2/h3-6,16H,15H2,1-2H3,(H,17,18)
InChIKeyHKDXZIQJBNRREO-UHFFFAOYSA-N
XLogP0.81
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.31
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2-tert-butylphenyl)-3,3,3-trifluoro-2-methylpropanamide
CID 79797089
2-amino-3,3,3-trifluoro-N-[2-(1-hydroxyethyl)phenyl]-2-methylpropanamide
CID 79805032
2-amino-3,3,3-trifluoro-N-(2-hydroxy-3-methylphenyl)-2-methylpropanamide
CID 79811044
2-amino-3,3,3-trifluoro-N-[2-(methoxymethyl)phenyl]-2-methylpropanamide
CID 79797184
2-fluoro-N-[2-(methylsulfamoyl)phenyl]benzamide
CID 61042650
(2S)-2-amino-3-methyl-N-[2-(methylsulfamoyl)phenyl]butanamide
CID 61156317
2-amino-2-methyl-N-(2-methylsulfonylphenyl)propanamide
CID 61265607
2,2,2-trifluoro-N-(2-methylsulfonylphenyl)acetamide
CID 60707701
2-bromo-N-[2-(methylsulfamoyl)phenyl]propanamide
CID 107903498
2-methyl-2-(methylamino)-N-(2-sulfamoylphenyl)propanamide
CID 62845991
3-methyl-3-[2-(methylsulfamoyl)anilino]butanamide
CID 106097032
2-amino-3,3,3-trifluoro-N-(2-methoxy-3-pyridinyl)-2-methylpropanamide
CID 79797297

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-[2-(methylsulfamoyl)phenyl]propanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-[2-(methylsulfamoyl)phenyl]propanamide (CID 79789955) is 2-amino-3,3,3-trifluoro-2-methyl-N-[2-(methylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-2-methyl-N-[2-(methylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-2-methyl-N-[2-(methylsulfamoyl)phenyl]propanamide is CNS(=O)(=O)c1ccccc1NC(=O)C(C)(N)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-2-methyl-N-[2-(methylsulfamoyl)phenyl]propanamide?
The InChIKey is HKDXZIQJBNRREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O3S/c1-10(15,11(12,13)14)9(18)17-7-5-3-4-6-8(7)21(19,20)16-2/h3-6,16H,15H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-3,3,3-trifluoro-2-methyl-N-[2-(methylsulfamoyl)phenyl]propanamide?
2-amino-3,3,3-trifluoro-2-methyl-N-[2-(methylsulfamoyl)phenyl]propanamide has a molecular weight of 325.31 g/mol, XLogP of 0.81, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-2-methyl-N-[2-(methylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 79789955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).