2,2,2-trifluoro-N-[2-(methanesulfonamido)ethyl]acetamide

C5H9F3N2O3S — CID 62735239

IUPAC2,2,2-trifluoro-N-[2-(methanesulfonamido)ethyl]acetamide
SMILESCS(=O)(=O)NCCNC(=O)C(F)(F)F
InChIInChI=1S/C5H9F3N2O3S/c1-14(12,13)10-3-2-9-4(11)5(6,7)8/h10H,2-3H2,1H3,(H,9,11)
InChIKeyCEQSDBZIHLNJES-UHFFFAOYSA-N
MW234.20 g/mol
LogP-0.79
Rot. Bonds4

About 2,2,2-trifluoro-N-[2-(methanesulfonamido)ethyl]acetamide

2,2,2-trifluoro-N-[2-(methanesulfonamido)ethyl]acetamide (PubChem CID 62735239) has the molecular formula C5H9F3N2O3S and a molecular weight of 234.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(methanesulfonamido)ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(methanesulfonamido)ethyl]acetamide
PubChem CID62735239
Molecular FormulaC5H9F3N2O3S
Molecular Weight234.20 g/mol
Exact Mass234.03
IUPAC Name2,2,2-trifluoro-N-[2-(methanesulfonamido)ethyl]acetamide
SMILESCS(=O)(=O)NCCNC(=O)C(F)(F)F
InChIInChI=1S/C5H9F3N2O3S/c1-14(12,13)10-3-2-9-4(11)5(6,7)8/h10H,2-3H2,1H3,(H,9,11)
InChIKeyCEQSDBZIHLNJES-UHFFFAOYSA-N
XLogP-0.79
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.20
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-N-(2-sulfamoylethyl)acetamide
CID 14028996
2,2,2-trifluoro-N-(2-methylsulfonylsulfanylethyl)acetamide
CID 23401497
2,2-dimethyl-N-[2-(trifluoromethylsulfonylamino)ethyl]propanamide
CID 89425392
N-[2-(trifluoromethylsulfonylamino)ethyl]propanamide
CID 89425423
N-[1-(trifluoromethylsulfonyl)azetidin-3-yl]acetamide
CID 117710540
N-(2,2-difluoroethyl)-2-[methyl(sulfamoyl)amino]acetamide
CID 167049415
2-(4-methylsulfonylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 31872713
1,1-difluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide
CID 43602789
2-[2-(methanesulfonamido)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 54961740
1,1-difluoro-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide
CID 60894398
1,1,1-trifluoro-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide
CID 60896021
2-[methyl(propan-2-ylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 61354870

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(methanesulfonamido)ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-(methanesulfonamido)ethyl]acetamide (CID 62735239) is 2,2,2-trifluoro-N-[2-(methanesulfonamido)ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(methanesulfonamido)ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(methanesulfonamido)ethyl]acetamide is CS(=O)(=O)NCCNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(methanesulfonamido)ethyl]acetamide?
The InChIKey is CEQSDBZIHLNJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3N2O3S/c1-14(12,13)10-3-2-9-4(11)5(6,7)8/h10H,2-3H2,1H3,(H,9,11).
What are the key properties of 2,2,2-trifluoro-N-[2-(methanesulfonamido)ethyl]acetamide?
2,2,2-trifluoro-N-[2-(methanesulfonamido)ethyl]acetamide has a molecular weight of 234.20 g/mol, XLogP of -0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(methanesulfonamido)ethyl]acetamide is sourced from PubChem (CID 62735239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).