N-[4-[3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenoxyacetamide

C23H19FN2O3S — CID 71956466

IUPACN-[4-[3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ccc(C2SCC(=O)N2c2cccc(F)c2)cc1
InChIInChI=1S/C23H19FN2O3S/c24-17-5-4-6-19(13-17)26-22(28)15-30-23(26)16-9-11-18(12-10-16)25-21(27)14-29-20-7-2-1-3-8-20/h1-13,23H,14-15H2,(H,25,27)
InChIKeyXUWJAOGMSGJYMC-UHFFFAOYSA-N
MW422.48 g/mol
LogP4.62
Rot. Bonds6

About N-[4-[3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenoxyacetamide

N-[4-[3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenoxyacetamide (PubChem CID 71956466) has the molecular formula C23H19FN2O3S and a molecular weight of 422.48 g/mol. Its IUPAC name is N-[4-[3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[4-[3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenoxyacetamide
PubChem CID71956466
Molecular FormulaC23H19FN2O3S
Molecular Weight422.48 g/mol
Exact Mass422.11
IUPAC NameN-[4-[3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ccc(C2SCC(=O)N2c2cccc(F)c2)cc1
InChIInChI=1S/C23H19FN2O3S/c24-17-5-4-6-19(13-17)26-22(28)15-30-23(26)16-9-11-18(12-10-16)25-21(27)14-29-20-7-2-1-3-8-20/h1-13,23H,14-15H2,(H,25,27)
InChIKeyXUWJAOGMSGJYMC-UHFFFAOYSA-N
XLogP4.62
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenoxyacetamide?
The IUPAC name of N-[4-[3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenoxyacetamide (CID 71956466) is N-[4-[3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[4-[3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenoxyacetamide?
The canonical SMILES for N-[4-[3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenoxyacetamide is O=C(COc1ccccc1)Nc1ccc(C2SCC(=O)N2c2cccc(F)c2)cc1.
What is the InChIKey of N-[4-[3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenoxyacetamide?
The InChIKey is XUWJAOGMSGJYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O3S/c24-17-5-4-6-19(13-17)26-22(28)15-30-23(26)16-9-11-18(12-10-16)25-21(27)14-29-20-7-2-1-3-8-20/h1-13,23H,14-15H2,(H,25,27).
What are the key properties of N-[4-[3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenoxyacetamide?
N-[4-[3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenoxyacetamide has a molecular weight of 422.48 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenoxyacetamide is sourced from PubChem (CID 71956466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).