2-(2-propan-2-ylsulfanylanilino)-N-(2,2,2-trifluoroethyl)acetamide

C13H17F3N2OS — CID 75380587

IUPAC2-(2-propan-2-ylsulfanylanilino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)Sc1ccccc1NCC(=O)NCC(F)(F)F
InChIInChI=1S/C13H17F3N2OS/c1-9(2)20-11-6-4-3-5-10(11)17-7-12(19)18-8-13(14,15)16/h3-6,9,17H,7-8H2,1-2H3,(H,18,19)
InChIKeyUYAGTEDWTZRLMF-UHFFFAOYSA-N
MW306.35 g/mol
LogP3.28
Rot. Bonds6

About 2-(2-propan-2-ylsulfanylanilino)-N-(2,2,2-trifluoroethyl)acetamide

2-(2-propan-2-ylsulfanylanilino)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 75380587) has the molecular formula C13H17F3N2OS and a molecular weight of 306.35 g/mol. Its IUPAC name is 2-(2-propan-2-ylsulfanylanilino)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(2-propan-2-ylsulfanylanilino)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID75380587
Molecular FormulaC13H17F3N2OS
Molecular Weight306.35 g/mol
Exact Mass306.10
IUPAC Name2-(2-propan-2-ylsulfanylanilino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)Sc1ccccc1NCC(=O)NCC(F)(F)F
InChIInChI=1S/C13H17F3N2OS/c1-9(2)20-11-6-4-3-5-10(11)17-7-12(19)18-8-13(14,15)16/h3-6,9,17H,7-8H2,1-2H3,(H,18,19)
InChIKeyUYAGTEDWTZRLMF-UHFFFAOYSA-N
XLogP3.28
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpropyl)-2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]benzamide
CID 32987501
2-anilino-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride
CID 119726408
2-(2,6-dimethylanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60688864
2-(methylamino)-N-(2-propan-2-ylsulfanylphenyl)acetamide;hydrochloride
CID 119797995
2-(2-aminophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 43249189
2-(2-phenylpropylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 112682989
2-(5-fluoro-2-methylanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60652978
N-[2-(4-fluorophenyl)ethyl]-2-(2-methylsulfanylanilino)acetamide
CID 35811388
2-(4-methylanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60638136
N-benzyl-2-(2-methylsulfanylanilino)acetamide
CID 51252968
2-[2-(morpholine-4-carbonyl)anilino]-N-(2,2,2-trifluoroethyl)acetamide
CID 32996630
3-amino-N-(2-propan-2-ylsulfanylphenyl)propanamide
CID 119331778

Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-ylsulfanylanilino)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(2-propan-2-ylsulfanylanilino)-N-(2,2,2-trifluoroethyl)acetamide (CID 75380587) is 2-(2-propan-2-ylsulfanylanilino)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(2-propan-2-ylsulfanylanilino)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(2-propan-2-ylsulfanylanilino)-N-(2,2,2-trifluoroethyl)acetamide is CC(C)Sc1ccccc1NCC(=O)NCC(F)(F)F.
What is the InChIKey of 2-(2-propan-2-ylsulfanylanilino)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is UYAGTEDWTZRLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2OS/c1-9(2)20-11-6-4-3-5-10(11)17-7-12(19)18-8-13(14,15)16/h3-6,9,17H,7-8H2,1-2H3,(H,18,19).
What are the key properties of 2-(2-propan-2-ylsulfanylanilino)-N-(2,2,2-trifluoroethyl)acetamide?
2-(2-propan-2-ylsulfanylanilino)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 306.35 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-ylsulfanylanilino)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 75380587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).