4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-(4-phenylmethoxyphenyl)benzamide

C31H28N2O3S — CID 126180008

IUPAC4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-(4-phenylmethoxyphenyl)benzamide
SMILESO=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1
InChIInChI=1S/C31H28N2O3S/c34-29-22-37-31(33(29)20-19-23-7-3-1-4-8-23)26-13-11-25(12-14-26)30(35)32-27-15-17-28(18-16-27)36-21-24-9-5-2-6-10-24/h1-18,31H,19-22H2,(H,32,35)/t31-/m0/s1
InChIKeyQWNRRAIPZQXGER-HKBQPEDESA-N
MW508.64 g/mol
LogP6.33
Rot. Bonds9

About 4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-(4-phenylmethoxyphenyl)benzamide

4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-(4-phenylmethoxyphenyl)benzamide (PubChem CID 126180008) has the molecular formula C31H28N2O3S and a molecular weight of 508.64 g/mol. Its IUPAC name is 4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-(4-phenylmethoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-(4-phenylmethoxyphenyl)benzamide
PubChem CID126180008
Molecular FormulaC31H28N2O3S
Molecular Weight508.64 g/mol
Exact Mass508.18
IUPAC Name4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-(4-phenylmethoxyphenyl)benzamide
SMILESO=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1
InChIInChI=1S/C31H28N2O3S/c34-29-22-37-31(33(29)20-19-23-7-3-1-4-8-23)26-13-11-25(12-14-26)30(35)32-27-15-17-28(18-16-27)36-21-24-9-5-2-6-10-24/h1-18,31H,19-22H2,(H,32,35)/t31-/m0/s1
InChIKeyQWNRRAIPZQXGER-HKBQPEDESA-N
XLogP6.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.64
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxyphenyl)-4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
CID 5053317
methyl 4-[[4-[(2R)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzoyl]amino]benzoate
CID 982903
N-(4-iodophenyl)-4-[(2R)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
CID 126118506
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-[(2R)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
CID 126190058
4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 126178762
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
CID 126182213
N-(2-methoxyphenyl)-4-[(2R)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
CID 42502751
N-(2-methoxyethyl)-4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
CID 3149481
4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzamide
CID 43905770
4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 5100242
4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-(pyridin-2-ylmethyl)benzamide
CID 3831558
dimethyl 2-[[4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzoyl]amino]benzene-1,4-dicarboxylate
CID 21372555

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-(4-phenylmethoxyphenyl)benzamide?
The IUPAC name of 4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-(4-phenylmethoxyphenyl)benzamide (CID 126180008) is 4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-(4-phenylmethoxyphenyl)benzamide.
What is the SMILES notation for 4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-(4-phenylmethoxyphenyl)benzamide?
The canonical SMILES for 4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-(4-phenylmethoxyphenyl)benzamide is O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1.
What is the InChIKey of 4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-(4-phenylmethoxyphenyl)benzamide?
The InChIKey is QWNRRAIPZQXGER-HKBQPEDESA-N. The full InChI is InChI=1S/C31H28N2O3S/c34-29-22-37-31(33(29)20-19-23-7-3-1-4-8-23)26-13-11-25(12-14-26)30(35)32-27-15-17-28(18-16-27)36-21-24-9-5-2-6-10-24/h1-18,31H,19-22H2,(H,32,35)/t31-/m0/s1.
What are the key properties of 4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-(4-phenylmethoxyphenyl)benzamide?
4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-(4-phenylmethoxyphenyl)benzamide has a molecular weight of 508.64 g/mol, XLogP of 6.33, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-(4-phenylmethoxyphenyl)benzamide is sourced from PubChem (CID 126180008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).