4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide

C31H28N2O2S — CID 92673208

IUPAC4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
SMILESCc1ccc([C@H](NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c2ccccc2)cc1
InChIInChI=1S/C31H28N2O2S/c1-22-12-14-25(15-13-22)29(24-10-6-3-7-11-24)32-30(35)26-16-18-27(19-17-26)31-33(28(34)21-36-31)20-23-8-4-2-5-9-23/h2-19,29,31H,20-21H2,1H3,(H,32,35)/t29-,31+/m1/s1
InChIKeyXSJVEPYNRXRUJL-VEEOACQBSA-N
MW492.64 g/mol
LogP6.29
Rot. Bonds7

About 4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide

4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide (PubChem CID 92673208) has the molecular formula C31H28N2O2S and a molecular weight of 492.64 g/mol. Its IUPAC name is 4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide.

Molecular Properties

Compound Name4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
PubChem CID92673208
Molecular FormulaC31H28N2O2S
Molecular Weight492.64 g/mol
Exact Mass492.19
IUPAC Name4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
SMILESCc1ccc([C@H](NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c2ccccc2)cc1
InChIInChI=1S/C31H28N2O2S/c1-22-12-14-25(15-13-22)29(24-10-6-3-7-11-24)32-30(35)26-16-18-27(19-17-26)31-33(28(34)21-36-31)20-23-8-4-2-5-9-23/h2-19,29,31H,20-21H2,1H3,(H,32,35)/t29-,31+/m1/s1
InChIKeyXSJVEPYNRXRUJL-VEEOACQBSA-N
XLogP6.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.64
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide with MolForge

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Related Compounds

4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 100561810
N-[(1S)-1-(4-methylphenyl)ethyl]-4-[(2R)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
CID 28633120
4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]benzamide
CID 92672177
4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]benzamide
CID 92672179
4-[(2S)-3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 94016146
4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide
CID 94012941
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 46764264
4-[3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-N-(1-phenylpropyl)benzamide
CID 46771532
4-[(2S)-3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-N-[(1S)-3-methyl-1-phenylbutyl]benzamide
CID 28575054
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 46772057
4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(1S)-1-(4-ethoxyphenyl)ethyl]benzamide
CID 92675049
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-(2-methylpropyl)benzamide
CID 3139076

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide?
The IUPAC name of 4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide (CID 92673208) is 4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide.
What is the SMILES notation for 4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide?
The canonical SMILES for 4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide is Cc1ccc([C@H](NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c2ccccc2)cc1.
What is the InChIKey of 4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide?
The InChIKey is XSJVEPYNRXRUJL-VEEOACQBSA-N. The full InChI is InChI=1S/C31H28N2O2S/c1-22-12-14-25(15-13-22)29(24-10-6-3-7-11-24)32-30(35)26-16-18-27(19-17-26)31-33(28(34)21-36-31)20-23-8-4-2-5-9-23/h2-19,29,31H,20-21H2,1H3,(H,32,35)/t29-,31+/m1/s1.
What are the key properties of 4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide?
4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide has a molecular weight of 492.64 g/mol, XLogP of 6.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide is sourced from PubChem (CID 92673208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).