[(2R)-1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl] 2-(2-oxo-1,3-thiazolidin-3-yl)acetate

C15H15F3N2O5S — CID 9003566

IUPAC[(2R)-1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl] 2-(2-oxo-1,3-thiazolidin-3-yl)acetate
SMILESC[C@@H](OC(=O)CN1CCSC1=O)C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H15F3N2O5S/c1-9(24-12(21)8-20-6-7-26-14(20)23)13(22)19-10-2-4-11(5-3-10)25-15(16,17)18/h2-5,9H,6-8H2,1H3,(H,19,22)/t9-/m1/s1
InChIKeyQLJBWURXHOGOGS-SECBINFHSA-N
MW392.36 g/mol
LogP2.62
Rot. Bonds6

About [(2R)-1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl] 2-(2-oxo-1,3-thiazolidin-3-yl)acetate

[(2R)-1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl] 2-(2-oxo-1,3-thiazolidin-3-yl)acetate (PubChem CID 9003566) has the molecular formula C15H15F3N2O5S and a molecular weight of 392.36 g/mol. Its IUPAC name is [(2R)-1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl] 2-(2-oxo-1,3-thiazolidin-3-yl)acetate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl] 2-(2-oxo-1,3-thiazolidin-3-yl)acetate
PubChem CID9003566
Molecular FormulaC15H15F3N2O5S
Molecular Weight392.36 g/mol
Exact Mass392.07
IUPAC Name[(2R)-1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl] 2-(2-oxo-1,3-thiazolidin-3-yl)acetate
SMILESC[C@@H](OC(=O)CN1CCSC1=O)C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H15F3N2O5S/c1-9(24-12(21)8-20-6-7-26-14(20)23)13(22)19-10-2-4-11(5-3-10)25-15(16,17)18/h2-5,9H,6-8H2,1H3,(H,19,22)/t9-/m1/s1
InChIKeyQLJBWURXHOGOGS-SECBINFHSA-N
XLogP2.62
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

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[(2R)-1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl] 2-[(1R)-cyclopent-2-en-1-yl]acetate
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[(2R)-1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
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[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl] 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate
CID 46816608
2-(3,4-dimethylphenoxy)-N-[4-(trifluoromethoxy)phenyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl] 2-(2-oxo-1,3-thiazolidin-3-yl)acetate?
The IUPAC name of [(2R)-1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl] 2-(2-oxo-1,3-thiazolidin-3-yl)acetate (CID 9003566) is [(2R)-1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl] 2-(2-oxo-1,3-thiazolidin-3-yl)acetate.
What is the SMILES notation for [(2R)-1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl] 2-(2-oxo-1,3-thiazolidin-3-yl)acetate?
The canonical SMILES for [(2R)-1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl] 2-(2-oxo-1,3-thiazolidin-3-yl)acetate is C[C@@H](OC(=O)CN1CCSC1=O)C(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of [(2R)-1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl] 2-(2-oxo-1,3-thiazolidin-3-yl)acetate?
The InChIKey is QLJBWURXHOGOGS-SECBINFHSA-N. The full InChI is InChI=1S/C15H15F3N2O5S/c1-9(24-12(21)8-20-6-7-26-14(20)23)13(22)19-10-2-4-11(5-3-10)25-15(16,17)18/h2-5,9H,6-8H2,1H3,(H,19,22)/t9-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl] 2-(2-oxo-1,3-thiazolidin-3-yl)acetate?
[(2R)-1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl] 2-(2-oxo-1,3-thiazolidin-3-yl)acetate has a molecular weight of 392.36 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl] 2-(2-oxo-1,3-thiazolidin-3-yl)acetate is sourced from PubChem (CID 9003566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).