2-amino-3,3,3-trifluoro-2-methyl-N-(4-methylsulfanylphenyl)propanamide

C11H13F3N2OS — CID 79791847

IUPAC2-amino-3,3,3-trifluoro-2-methyl-N-(4-methylsulfanylphenyl)propanamide
SMILESCSc1ccc(NC(=O)C(C)(N)C(F)(F)F)cc1
InChIInChI=1S/C11H13F3N2OS/c1-10(15,11(12,13)14)9(17)16-7-3-5-8(18-2)6-4-7/h3-6H,15H2,1-2H3,(H,16,17)
InChIKeyWEGLLOFIXBOSBO-UHFFFAOYSA-N
MW278.30 g/mol
LogP2.63
Rot. Bonds3

About 2-amino-3,3,3-trifluoro-2-methyl-N-(4-methylsulfanylphenyl)propanamide

2-amino-3,3,3-trifluoro-2-methyl-N-(4-methylsulfanylphenyl)propanamide (PubChem CID 79791847) has the molecular formula C11H13F3N2OS and a molecular weight of 278.30 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-2-methyl-N-(4-methylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-2-methyl-N-(4-methylsulfanylphenyl)propanamide
PubChem CID79791847
Molecular FormulaC11H13F3N2OS
Molecular Weight278.30 g/mol
Exact Mass278.07
IUPAC Name2-amino-3,3,3-trifluoro-2-methyl-N-(4-methylsulfanylphenyl)propanamide
SMILESCSc1ccc(NC(=O)C(C)(N)C(F)(F)F)cc1
InChIInChI=1S/C11H13F3N2OS/c1-10(15,11(12,13)14)9(17)16-7-3-5-8(18-2)6-4-7/h3-6H,15H2,1-2H3,(H,16,17)
InChIKeyWEGLLOFIXBOSBO-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-methyl-N-(4-methylsulfanylphenyl)propanamide
CID 61265174
2-amino-N-(4-tert-butylphenyl)-3,3,3-trifluoro-2-methylpropanamide
CID 79791630
4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]benzamide
CID 79796854
2-amino-2-ethyl-N-(4-methylsulfanylphenyl)butanamide
CID 79809132
2-amino-3,3,3-trifluoro-N-(4-methoxyphenyl)-2-methylpropanamide
CID 79788488
2-amino-2-methyl-N-(4-methylsulfanylphenyl)pentanamide
CID 60848568
2-amino-N-(4-methylsulfanylphenyl)-2-phenylpropanamide
CID 62488562
2-amino-3,3,3-trifluoro-2-methyl-N-(4-propan-2-yloxyphenyl)propanamide
CID 79797421
2-amino-3,3,3-trifluoro-2-methyl-N-(3,4,5-trifluorophenyl)propanamide
CID 79811217
N-(4-acetamido-3-methylphenyl)-2-amino-3,3,3-trifluoro-2-methylpropanamide
CID 79790594
2-amino-3,3,3-trifluoro-N-(4-fluoro-3-nitrophenyl)-2-methylpropanamide
CID 79796657
2-amino-3,3,3-trifluoro-N-(3-hydroxy-4-methoxyphenyl)-2-methylpropanamide
CID 79797113

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-(4-methylsulfanylphenyl)propanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-(4-methylsulfanylphenyl)propanamide (CID 79791847) is 2-amino-3,3,3-trifluoro-2-methyl-N-(4-methylsulfanylphenyl)propanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-2-methyl-N-(4-methylsulfanylphenyl)propanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-2-methyl-N-(4-methylsulfanylphenyl)propanamide is CSc1ccc(NC(=O)C(C)(N)C(F)(F)F)cc1.
What is the InChIKey of 2-amino-3,3,3-trifluoro-2-methyl-N-(4-methylsulfanylphenyl)propanamide?
The InChIKey is WEGLLOFIXBOSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2OS/c1-10(15,11(12,13)14)9(17)16-7-3-5-8(18-2)6-4-7/h3-6H,15H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-3,3,3-trifluoro-2-methyl-N-(4-methylsulfanylphenyl)propanamide?
2-amino-3,3,3-trifluoro-2-methyl-N-(4-methylsulfanylphenyl)propanamide has a molecular weight of 278.30 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-2-methyl-N-(4-methylsulfanylphenyl)propanamide is sourced from PubChem (CID 79791847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).