2-(2-methoxyethylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide;hydrochloride

C8H16ClF3N2O2S — CID 119727737

IUPAC2-(2-methoxyethylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide;hydrochloride
SMILESCOCCNCC(=O)NCCSC(F)(F)F.Cl
InChIInChI=1S/C8H15F3N2O2S.ClH/c1-15-4-2-12-6-7(14)13-3-5-16-8(9,10)11;/h12H,2-6H2,1H3,(H,13,14);1H
InChIKeyNGROATIQZUKSIP-UHFFFAOYSA-N
MW296.74 g/mol
LogP1.01
Rot. Bonds8

About 2-(2-methoxyethylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide;hydrochloride

2-(2-methoxyethylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide;hydrochloride (PubChem CID 119727737) has the molecular formula C8H16ClF3N2O2S and a molecular weight of 296.74 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide;hydrochloride
PubChem CID119727737
Molecular FormulaC8H16ClF3N2O2S
Molecular Weight296.74 g/mol
Exact Mass296.06
IUPAC Name2-(2-methoxyethylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide;hydrochloride
SMILESCOCCNCC(=O)NCCSC(F)(F)F.Cl
InChIInChI=1S/C8H15F3N2O2S.ClH/c1-15-4-2-12-6-7(14)13-3-5-16-8(9,10)11;/h12H,2-6H2,1H3,(H,13,14);1H
InChIKeyNGROATIQZUKSIP-UHFFFAOYSA-N
XLogP1.01
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.74
LogP ≤ 51.01
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-(2,2,2-trifluoroethyl)acetamide
CID 60646688
N-ethyl-2-[2-(trifluoromethylsulfanyl)ethylamino]acetamide
CID 116615399
2-(2-methoxyethylamino)-N-(3-methoxypropyl)acetamide;hydrochloride
CID 119672351
2-(2-methoxyethylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 79281292
2-(2-methoxyethylamino)-N-(3-methylsulfanylpropyl)acetamide
CID 79282456
N-ethyl-2-(2-methoxyethylamino)acetamide
CID 28565523
N-(2-methoxyethyl)-2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetamide
CID 113219586
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119691382
2-(2-methoxyethylamino)-N-(2-sulfamoylethyl)acetamide
CID 79281474
2-(2-methoxyethylamino)-N-(4-methylpentyl)acetamide;hydrochloride
CID 119718684
N-[3-(dimethylamino)propyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119827417
3,3,3-trifluoro-2-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]propanoic acid
CID 103263905

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide;hydrochloride?
The IUPAC name of 2-(2-methoxyethylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide;hydrochloride (CID 119727737) is 2-(2-methoxyethylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(2-methoxyethylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide;hydrochloride?
The canonical SMILES for 2-(2-methoxyethylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide;hydrochloride is COCCNCC(=O)NCCSC(F)(F)F.Cl.
What is the InChIKey of 2-(2-methoxyethylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide;hydrochloride?
The InChIKey is NGROATIQZUKSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O2S.ClH/c1-15-4-2-12-6-7(14)13-3-5-16-8(9,10)11;/h12H,2-6H2,1H3,(H,13,14);1H.
What are the key properties of 2-(2-methoxyethylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide;hydrochloride?
2-(2-methoxyethylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide;hydrochloride has a molecular weight of 296.74 g/mol, XLogP of 1.01, 8 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)ethyl]acetamide;hydrochloride is sourced from PubChem (CID 119727737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).