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

C23H18F2N2O3S — CID 93127715

IUPACN-[2-[(2S)-3-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ccccc1[C@@H]1SCC(=O)N1c1ccc(F)cc1F
InChIInChI=1S/C23H18F2N2O3S/c24-15-10-11-20(18(25)12-15)27-22(29)14-31-23(27)17-8-4-5-9-19(17)26-21(28)13-30-16-6-2-1-3-7-16/h1-12,23H,13-14H2,(H,26,28)/t23-/m0/s1
InChIKeyCJQRANGAMBWORS-QHCPKHFHSA-N
MW440.47 g/mol
LogP4.76
Rot. Bonds6

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

N-[2-[(2S)-3-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenoxyacetamide (PubChem CID 93127715) has the molecular formula C23H18F2N2O3S and a molecular weight of 440.47 g/mol. Its IUPAC name is N-[2-[(2S)-3-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-[(2S)-3-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenoxyacetamide
PubChem CID93127715
Molecular FormulaC23H18F2N2O3S
Molecular Weight440.47 g/mol
Exact Mass440.10
IUPAC NameN-[2-[(2S)-3-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ccccc1[C@@H]1SCC(=O)N1c1ccc(F)cc1F
InChIInChI=1S/C23H18F2N2O3S/c24-15-10-11-20(18(25)12-15)27-22(29)14-31-23(27)17-8-4-5-9-19(17)26-21(28)13-30-16-6-2-1-3-7-16/h1-12,23H,13-14H2,(H,26,28)/t23-/m0/s1
InChIKeyCJQRANGAMBWORS-QHCPKHFHSA-N
XLogP4.76
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.47
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[3-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylmethoxyacetamide
CID 42807494
N-(5-fluoro-2-piperidin-1-ylphenyl)-2-phenoxyacetamide
CID 113092602
N-[4-[3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenoxyacetamide
CID 71956466
2-[2-(3-chlorophenoxy)-3-pyridinyl]-3-(2,4-difluorophenyl)-1,3-thiazolidin-4-one
CID 134123447
2,4-dichloro-N-[2-[(2S)-3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93126401
2-amino-N-[5-fluoro-2-[(2-phenoxyacetyl)amino]phenyl]acetamide
CID 39183990
N-[3-[(2S)-3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenoxyacetamide
CID 93127994
N-[4-[(2S)-3-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methoxybenzamide
CID 93127695
[2-(2,4-difluoroanilino)-2-oxoethyl] 4-phenoxybutanoate
CID 2588876
2-(2,4-difluorophenoxy)-N-(2-piperidin-1-ylphenyl)acetamide
CID 31887225
N-(2,4-difluorophenyl)-2-(4-methylphenoxy)acetamide
CID 755254
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-phenoxyacetate
CID 2506722

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-3-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenoxyacetamide?
The IUPAC name of N-[2-[(2S)-3-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenoxyacetamide (CID 93127715) is N-[2-[(2S)-3-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-[(2S)-3-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-[(2S)-3-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenoxyacetamide is O=C(COc1ccccc1)Nc1ccccc1[C@@H]1SCC(=O)N1c1ccc(F)cc1F.
What is the InChIKey of N-[2-[(2S)-3-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenoxyacetamide?
The InChIKey is CJQRANGAMBWORS-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H18F2N2O3S/c24-15-10-11-20(18(25)12-15)27-22(29)14-31-23(27)17-8-4-5-9-19(17)26-21(28)13-30-16-6-2-1-3-7-16/h1-12,23H,13-14H2,(H,26,28)/t23-/m0/s1.
What are the key properties of N-[2-[(2S)-3-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenoxyacetamide?
N-[2-[(2S)-3-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenoxyacetamide has a molecular weight of 440.47 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-3-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenoxyacetamide is sourced from PubChem (CID 93127715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).