2-(2-ethylsulfonylethylamino)-N-(2,2,2-trifluoroethyl)acetamide

C8H15F3N2O3S — CID 114110989

IUPAC2-(2-ethylsulfonylethylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCS(=O)(=O)CCNCC(=O)NCC(F)(F)F
InChIInChI=1S/C8H15F3N2O3S/c1-2-17(15,16)4-3-12-5-7(14)13-6-8(9,10)11/h12H,2-6H2,1H3,(H,13,14)
InChIKeyDRUDPZPTHSLMNX-UHFFFAOYSA-N
MW276.28 g/mol
LogP-0.31
Rot. Bonds7

About 2-(2-ethylsulfonylethylamino)-N-(2,2,2-trifluoroethyl)acetamide

2-(2-ethylsulfonylethylamino)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 114110989) has the molecular formula C8H15F3N2O3S and a molecular weight of 276.28 g/mol. Its IUPAC name is 2-(2-ethylsulfonylethylamino)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(2-ethylsulfonylethylamino)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID114110989
Molecular FormulaC8H15F3N2O3S
Molecular Weight276.28 g/mol
Exact Mass276.08
IUPAC Name2-(2-ethylsulfonylethylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCS(=O)(=O)CCNCC(=O)NCC(F)(F)F
InChIInChI=1S/C8H15F3N2O3S/c1-2-17(15,16)4-3-12-5-7(14)13-6-8(9,10)11/h12H,2-6H2,1H3,(H,13,14)
InChIKeyDRUDPZPTHSLMNX-UHFFFAOYSA-N
XLogP-0.31
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 5-0.31
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-tert-butyl-2-(2-ethylsulfonylethylamino)acetamide
CID 115356498
3-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]propanoic acid
CID 43466550
2-(ethylamino)-N-(2-ethylsulfonylethyl)acetamide
CID 103810362
2-(4-hydroxybutylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 106841650
2-(5-methylhexylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 115325811
N-ethyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 28595910
N-(2-methoxyethyl)-2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetamide
CID 113219586
N-ethyl-2-(3,3,3-trifluoropropylamino)acetamide
CID 60695542
4-methyl-6-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]hexanoic acid
CID 65287156
2-[(4-ethylphenyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 103619237
N-(2-methylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 79261008

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylsulfonylethylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(2-ethylsulfonylethylamino)-N-(2,2,2-trifluoroethyl)acetamide (CID 114110989) is 2-(2-ethylsulfonylethylamino)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(2-ethylsulfonylethylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(2-ethylsulfonylethylamino)-N-(2,2,2-trifluoroethyl)acetamide is CCS(=O)(=O)CCNCC(=O)NCC(F)(F)F.
What is the InChIKey of 2-(2-ethylsulfonylethylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is DRUDPZPTHSLMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O3S/c1-2-17(15,16)4-3-12-5-7(14)13-6-8(9,10)11/h12H,2-6H2,1H3,(H,13,14).
What are the key properties of 2-(2-ethylsulfonylethylamino)-N-(2,2,2-trifluoroethyl)acetamide?
2-(2-ethylsulfonylethylamino)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 276.28 g/mol, XLogP of -0.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylsulfonylethylamino)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 114110989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).