2-[2-oxo-2-[[4-(trifluoromethyl)thiophen-2-yl]amino]ethyl]sulfanylacetamide

C9H9F3N2O2S2 — CID 166306564

IUPAC2-[2-oxo-2-[[4-(trifluoromethyl)thiophen-2-yl]amino]ethyl]sulfanylacetamide
SMILESNC(=O)CSCC(=O)Nc1cc(C(F)(F)F)cs1
InChIInChI=1S/C9H9F3N2O2S2/c10-9(11,12)5-1-8(18-2-5)14-7(16)4-17-3-6(13)15/h1-2H,3-4H2,(H2,13,15)(H,14,16)
InChIKeyDTJTUVXCYZULOU-UHFFFAOYSA-N
MW298.31 g/mol
LogP1.92
Rot. Bonds5

About 2-[2-oxo-2-[[4-(trifluoromethyl)thiophen-2-yl]amino]ethyl]sulfanylacetamide

2-[2-oxo-2-[[4-(trifluoromethyl)thiophen-2-yl]amino]ethyl]sulfanylacetamide (PubChem CID 166306564) has the molecular formula C9H9F3N2O2S2 and a molecular weight of 298.31 g/mol. Its IUPAC name is 2-[2-oxo-2-[[4-(trifluoromethyl)thiophen-2-yl]amino]ethyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-oxo-2-[[4-(trifluoromethyl)thiophen-2-yl]amino]ethyl]sulfanylacetamide
PubChem CID166306564
Molecular FormulaC9H9F3N2O2S2
Molecular Weight298.31 g/mol
Exact Mass298.01
IUPAC Name2-[2-oxo-2-[[4-(trifluoromethyl)thiophen-2-yl]amino]ethyl]sulfanylacetamide
SMILESNC(=O)CSCC(=O)Nc1cc(C(F)(F)F)cs1
InChIInChI=1S/C9H9F3N2O2S2/c10-9(11,12)5-1-8(18-2-5)14-7(16)4-17-3-6(13)15/h1-2H,3-4H2,(H2,13,15)(H,14,16)
InChIKeyDTJTUVXCYZULOU-UHFFFAOYSA-N
XLogP1.92
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-oxo-2-[[4-(trifluoromethyl)thiophen-2-yl]amino]ethyl]sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-[[4-(trifluoromethyl)thiophen-2-yl]amino]ethyl]sulfanylacetamide?
The IUPAC name of 2-[2-oxo-2-[[4-(trifluoromethyl)thiophen-2-yl]amino]ethyl]sulfanylacetamide (CID 166306564) is 2-[2-oxo-2-[[4-(trifluoromethyl)thiophen-2-yl]amino]ethyl]sulfanylacetamide.
What is the SMILES notation for 2-[2-oxo-2-[[4-(trifluoromethyl)thiophen-2-yl]amino]ethyl]sulfanylacetamide?
The canonical SMILES for 2-[2-oxo-2-[[4-(trifluoromethyl)thiophen-2-yl]amino]ethyl]sulfanylacetamide is NC(=O)CSCC(=O)Nc1cc(C(F)(F)F)cs1.
What is the InChIKey of 2-[2-oxo-2-[[4-(trifluoromethyl)thiophen-2-yl]amino]ethyl]sulfanylacetamide?
The InChIKey is DTJTUVXCYZULOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2S2/c10-9(11,12)5-1-8(18-2-5)14-7(16)4-17-3-6(13)15/h1-2H,3-4H2,(H2,13,15)(H,14,16).
What are the key properties of 2-[2-oxo-2-[[4-(trifluoromethyl)thiophen-2-yl]amino]ethyl]sulfanylacetamide?
2-[2-oxo-2-[[4-(trifluoromethyl)thiophen-2-yl]amino]ethyl]sulfanylacetamide has a molecular weight of 298.31 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-[[4-(trifluoromethyl)thiophen-2-yl]amino]ethyl]sulfanylacetamide is sourced from PubChem (CID 166306564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).