2-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylacetic acid

C11H10F3NO3S — CID 3144769

IUPAC2-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylacetic acid
SMILESO=C(O)CSCC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C11H10F3NO3S/c12-11(13,14)7-3-1-2-4-8(7)15-9(16)5-19-6-10(17)18/h1-4H,5-6H2,(H,15,16)(H,17,18)
InChIKeyACWWPURCMUVHDX-UHFFFAOYSA-N
MW293.27 g/mol
LogP2.46
Rot. Bonds5

About 2-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylacetic acid

2-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylacetic acid (PubChem CID 3144769) has the molecular formula C11H10F3NO3S and a molecular weight of 293.27 g/mol. Its IUPAC name is 2-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylacetic acid
PubChem CID3144769
Molecular FormulaC11H10F3NO3S
Molecular Weight293.27 g/mol
Exact Mass293.03
IUPAC Name2-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylacetic acid
SMILESO=C(O)CSCC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C11H10F3NO3S/c12-11(13,14)7-3-1-2-4-8(7)15-9(16)5-19-6-10(17)18/h1-4H,5-6H2,(H,15,16)(H,17,18)
InChIKeyACWWPURCMUVHDX-UHFFFAOYSA-N
XLogP2.46
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.27
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylacetic acid?
The IUPAC name of 2-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylacetic acid (CID 3144769) is 2-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylacetic acid.
What is the SMILES notation for 2-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylacetic acid?
The canonical SMILES for 2-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylacetic acid is O=C(O)CSCC(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylacetic acid?
The InChIKey is ACWWPURCMUVHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO3S/c12-11(13,14)7-3-1-2-4-8(7)15-9(16)5-19-6-10(17)18/h1-4H,5-6H2,(H,15,16)(H,17,18).
What are the key properties of 2-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylacetic acid?
2-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylacetic acid has a molecular weight of 293.27 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylacetic acid is sourced from PubChem (CID 3144769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).