2-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]sulfanylacetic acid

C11H10F3NO3S — CID 2775903

IUPAC2-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]sulfanylacetic acid
SMILESO=C(O)CSCC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H10F3NO3S/c12-11(13,14)7-1-3-8(4-2-7)15-9(16)5-19-6-10(17)18/h1-4H,5-6H2,(H,15,16)(H,17,18)
InChIKeyDDWNXOMTWKGOOY-UHFFFAOYSA-N
MW293.27 g/mol
LogP2.46
Rot. Bonds5

About 2-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]sulfanylacetic acid

2-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]sulfanylacetic acid (PubChem CID 2775903) has the molecular formula C11H10F3NO3S and a molecular weight of 293.27 g/mol. Its IUPAC name is 2-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]sulfanylacetic acid
PubChem CID2775903
Molecular FormulaC11H10F3NO3S
Molecular Weight293.27 g/mol
Exact Mass293.03
IUPAC Name2-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]sulfanylacetic acid
SMILESO=C(O)CSCC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H10F3NO3S/c12-11(13,14)7-1-3-8(4-2-7)15-9(16)5-19-6-10(17)18/h1-4H,5-6H2,(H,15,16)(H,17,18)
InChIKeyDDWNXOMTWKGOOY-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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Related Compounds

N-[4-(trifluoromethyl)phenyl]acetamide
CID 67685
2-{[2-Oxo-2-(4-toluidino)ethyl]sulfanyl}-acetic acid
CID 737675
2-(benzylthio)-N-phenylacetamide
CID 584914
Acetanilide, 4'-ethyl-2,2,2-trifluoro-
CID 26767
S-2-(o-toluidino)-2-oxoethyl carbamothioate
CID 224667
2-[(2,6-difluorobenzyl)thio]-N-phenylacetamide
CID 872566
Acetanilide, 2,2,2-trifluoro-4'-(trifluoromethyl)-
CID 589514
2-[(4-fluorobenzyl)sulfanyl]-N-phenylacetamide
CID 573187
2-benzylsulfanyl-N-(2,4-difluorophenyl)acetamide
CID 563029
n-(4-Methylphenyl)-2-sulfanylpropanamide
CID 261536
N-(4-Methylphenyl)-2-sulfanylacetamide
CID 294418
3-(4-Trifluoromethylphenyl)-thiazolidine-2,4-dione
CID 2732564

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]sulfanylacetic acid?
The IUPAC name of 2-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]sulfanylacetic acid (CID 2775903) is 2-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]sulfanylacetic acid.
What is the SMILES notation for 2-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]sulfanylacetic acid?
The canonical SMILES for 2-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]sulfanylacetic acid is O=C(O)CSCC(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]sulfanylacetic acid?
The InChIKey is DDWNXOMTWKGOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO3S/c12-11(13,14)7-1-3-8(4-2-7)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-[4-(trifluoromethyl)anilino]ethyl]sulfanylacetic acid?
2-[2-oxo-2-[4-(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-[4-(trifluoromethyl)anilino]ethyl]sulfanylacetic acid is sourced from PubChem (CID 2775903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).