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

C7H13F3N2O3S — CID 78942337

IUPACN-(2-methylsulfonylethyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCS(=O)(=O)CCNC(=O)CNCC(F)(F)F
InChIInChI=1S/C7H13F3N2O3S/c1-16(14,15)3-2-12-6(13)4-11-5-7(8,9)10/h11H,2-5H2,1H3,(H,12,13)
InChIKeyMTJFTQSUTSTZRX-UHFFFAOYSA-N
MW262.25 g/mol
LogP-0.70
Rot. Bonds6

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

N-(2-methylsulfonylethyl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78942337) has the molecular formula C7H13F3N2O3S and a molecular weight of 262.25 g/mol. Its IUPAC name is N-(2-methylsulfonylethyl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(2-methylsulfonylethyl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78942337
Molecular FormulaC7H13F3N2O3S
Molecular Weight262.25 g/mol
Exact Mass262.06
IUPAC NameN-(2-methylsulfonylethyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCS(=O)(=O)CCNC(=O)CNCC(F)(F)F
InChIInChI=1S/C7H13F3N2O3S/c1-16(14,15)3-2-12-6(13)4-11-5-7(8,9)10/h11H,2-5H2,1H3,(H,12,13)
InChIKeyMTJFTQSUTSTZRX-UHFFFAOYSA-N
XLogP-0.70
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.25
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonylethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(2-methylsulfonylethyl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 78942337) is N-(2-methylsulfonylethyl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(2-methylsulfonylethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(2-methylsulfonylethyl)-2-(2,2,2-trifluoroethylamino)acetamide is CS(=O)(=O)CCNC(=O)CNCC(F)(F)F.
What is the InChIKey of N-(2-methylsulfonylethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is MTJFTQSUTSTZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O3S/c1-16(14,15)3-2-12-6(13)4-11-5-7(8,9)10/h11H,2-5H2,1H3,(H,12,13).
What are the key properties of N-(2-methylsulfonylethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(2-methylsulfonylethyl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 262.25 g/mol, XLogP of -0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonylethyl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78942337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).