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

C8H15F3N2O3S — CID 78958472

IUPACN-methyl-N-(2-methylsulfonylethyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCN(CCS(C)(=O)=O)C(=O)CNCC(F)(F)F
InChIInChI=1S/C8H15F3N2O3S/c1-13(3-4-17(2,15)16)7(14)5-12-6-8(9,10)11/h12H,3-6H2,1-2H3
InChIKeyZJTVPYMMWPKLQZ-UHFFFAOYSA-N
MW276.28 g/mol
LogP-0.36
Rot. Bonds6

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

N-methyl-N-(2-methylsulfonylethyl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78958472) has the molecular formula C8H15F3N2O3S and a molecular weight of 276.28 g/mol. Its IUPAC name is N-methyl-N-(2-methylsulfonylethyl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylsulfonylethyl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78958472
Molecular FormulaC8H15F3N2O3S
Molecular Weight276.28 g/mol
Exact Mass276.08
IUPAC NameN-methyl-N-(2-methylsulfonylethyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCN(CCS(C)(=O)=O)C(=O)CNCC(F)(F)F
InChIInChI=1S/C8H15F3N2O3S/c1-13(3-4-17(2,15)16)7(14)5-12-6-8(9,10)11/h12H,3-6H2,1-2H3
InChIKeyZJTVPYMMWPKLQZ-UHFFFAOYSA-N
XLogP-0.36
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylsulfonylethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-methyl-N-(2-methylsulfonylethyl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 78958472) is N-methyl-N-(2-methylsulfonylethyl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-methyl-N-(2-methylsulfonylethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-methyl-N-(2-methylsulfonylethyl)-2-(2,2,2-trifluoroethylamino)acetamide is CN(CCS(C)(=O)=O)C(=O)CNCC(F)(F)F.
What is the InChIKey of N-methyl-N-(2-methylsulfonylethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is ZJTVPYMMWPKLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O3S/c1-13(3-4-17(2,15)16)7(14)5-12-6-8(9,10)11/h12H,3-6H2,1-2H3.
What are the key properties of N-methyl-N-(2-methylsulfonylethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-methyl-N-(2-methylsulfonylethyl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 276.28 g/mol, XLogP of -0.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylsulfonylethyl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78958472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).