2-(2-methoxyethylamino)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide

C12H15F3N2O2S — CID 79281012

IUPAC2-(2-methoxyethylamino)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide
SMILESCOCCNCC(=O)Nc1ccccc1SC(F)(F)F
InChIInChI=1S/C12H15F3N2O2S/c1-19-7-6-16-8-11(18)17-9-4-2-3-5-10(9)20-12(13,14)15/h2-5,16H,6-8H2,1H3,(H,17,18)
InChIKeyUEXKEGDDQBNXRC-UHFFFAOYSA-N
MW308.33 g/mol
LogP2.47
Rot. Bonds7

About 2-(2-methoxyethylamino)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide

2-(2-methoxyethylamino)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide (PubChem CID 79281012) has the molecular formula C12H15F3N2O2S and a molecular weight of 308.33 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide
PubChem CID79281012
Molecular FormulaC12H15F3N2O2S
Molecular Weight308.33 g/mol
Exact Mass308.08
IUPAC Name2-(2-methoxyethylamino)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide
SMILESCOCCNCC(=O)Nc1ccccc1SC(F)(F)F
InChIInChI=1S/C12H15F3N2O2S/c1-19-7-6-16-8-11(18)17-9-4-2-3-5-10(9)20-12(13,14)15/h2-5,16H,6-8H2,1H3,(H,17,18)
InChIKeyUEXKEGDDQBNXRC-UHFFFAOYSA-N
XLogP2.47
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyethylamino)-N-[2-[(2-methylpropan-2-yl)oxy]phenyl]acetamide
CID 119792295
2-(2-methoxyethylamino)-N-(2-propan-2-yloxyphenyl)acetamide;hydrochloride
CID 119714872
2-(cyclopropylamino)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide
CID 60841801
2-(2-methoxyethylamino)-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 119769186
N-[2-[(dimethylamino)methyl]phenyl]-2-(2-methoxyethylamino)acetamide
CID 79281335
2-(2-methoxyethylamino)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 78913422
2-[[2-(2-methoxyethylamino)acetyl]amino]-N-(2-methylpropyl)benzamide;hydrochloride
CID 119684657
N-(2-methoxyphenyl)-2-[2-(trifluoromethylsulfanyl)ethylamino]acetamide
CID 106429534
2-(2-methoxyethylamino)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 112722629
N-benzyl-2-[[2-(2-methoxyethylamino)acetyl]amino]benzamide
CID 119679545
N,N-diethyl-2-[[2-(2-methoxyethylamino)acetyl]amino]benzamide;hydrochloride
CID 119746610
N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(2-methoxyethylamino)acetamide
CID 119733347

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide?
The IUPAC name of 2-(2-methoxyethylamino)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide (CID 79281012) is 2-(2-methoxyethylamino)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-methoxyethylamino)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide?
The canonical SMILES for 2-(2-methoxyethylamino)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide is COCCNCC(=O)Nc1ccccc1SC(F)(F)F.
What is the InChIKey of 2-(2-methoxyethylamino)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide?
The InChIKey is UEXKEGDDQBNXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2S/c1-19-7-6-16-8-11(18)17-9-4-2-3-5-10(9)20-12(13,14)15/h2-5,16H,6-8H2,1H3,(H,17,18).
What are the key properties of 2-(2-methoxyethylamino)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide?
2-(2-methoxyethylamino)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide has a molecular weight of 308.33 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide is sourced from PubChem (CID 79281012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).