N-(2-ethylsulfonylethyl)-2-(2,2,2-trifluoroethylamino)acetamide

C8H15F3N2O3S — CID 113235215

IUPACN-(2-ethylsulfonylethyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCCS(=O)(=O)CCNC(=O)CNCC(F)(F)F
InChIInChI=1S/C8H15F3N2O3S/c1-2-17(15,16)4-3-13-7(14)5-12-6-8(9,10)11/h12H,2-6H2,1H3,(H,13,14)
InChIKeyVEPDISHZCXVBEC-UHFFFAOYSA-N
MW276.28 g/mol
LogP-0.31
Rot. Bonds7

About N-(2-ethylsulfonylethyl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(2-ethylsulfonylethyl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 113235215) has the molecular formula C8H15F3N2O3S and a molecular weight of 276.28 g/mol. Its IUPAC name is N-(2-ethylsulfonylethyl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(2-ethylsulfonylethyl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID113235215
Molecular FormulaC8H15F3N2O3S
Molecular Weight276.28 g/mol
Exact Mass276.08
IUPAC NameN-(2-ethylsulfonylethyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCCS(=O)(=O)CCNC(=O)CNCC(F)(F)F
InChIInChI=1S/C8H15F3N2O3S/c1-2-17(15,16)4-3-13-7(14)5-12-6-8(9,10)11/h12H,2-6H2,1H3,(H,13,14)
InChIKeyVEPDISHZCXVBEC-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

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Related Compounds

2,2,2-trifluoro-N-[2-({2-[(trifluoroacetyl)amino]ethyl}sulfinyl)ethyl]acetamide
CID 3239832
N-(2-tert-butylsulfonylethyl)-2-(diethylamino)acetamide
CID 56789563
2,2,2-trifluoro-N-(2-methanesulfonylethyl)acetamide
CID 22609710
2-methylsulfonyl-N-(2,2,2-trifluoroethyl)acetamide
CID 138562483
N-ethyl-2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)acetamide
CID 163691113
2-[2-[(2-Aminoacetyl)amino]acetyl]sulfanylethanesulfonate
CID 162412816
2-[2-(methanesulfonamido)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 54961740
2-[(1,1-dioxothian-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 54961742
2-(3-methylsulfonylpropylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 54961896
2-(2-methylsulfanylethylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60646871
2-[(1,1-dioxothiolan-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 60647008
2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 60702917

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfonylethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(2-ethylsulfonylethyl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 113235215) is N-(2-ethylsulfonylethyl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(2-ethylsulfonylethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(2-ethylsulfonylethyl)-2-(2,2,2-trifluoroethylamino)acetamide is CCS(=O)(=O)CCNC(=O)CNCC(F)(F)F.
What is the InChIKey of N-(2-ethylsulfonylethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is VEPDISHZCXVBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O3S/c1-2-17(15,16)4-3-13-7(14)5-12-6-8(9,10)11/h12H,2-6H2,1H3,(H,13,14).
What are the key properties of N-(2-ethylsulfonylethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(2-ethylsulfonylethyl)-2-(2,2,2-trifluoroethylamino)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 N-(2-ethylsulfonylethyl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 113235215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).