4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(4-methoxyphenyl)methyl]benzamide

C25H24N2O3S — CID 1278524

IUPAC4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(4-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1
InChIInChI=1S/C25H24N2O3S/c1-30-22-13-7-18(8-14-22)15-26-24(29)20-9-11-21(12-10-20)25-27(23(28)17-31-25)16-19-5-3-2-4-6-19/h2-14,25H,15-17H2,1H3,(H,26,29)/t25-/m0/s1
InChIKeyYPPYZYWXUIUOBB-VWLOTQADSA-N
MW432.55 g/mol
LogP4.40
Rot. Bonds7

About 4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(4-methoxyphenyl)methyl]benzamide

4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(4-methoxyphenyl)methyl]benzamide (PubChem CID 1278524) has the molecular formula C25H24N2O3S and a molecular weight of 432.55 g/mol. Its IUPAC name is 4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(4-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(4-methoxyphenyl)methyl]benzamide
PubChem CID1278524
Molecular FormulaC25H24N2O3S
Molecular Weight432.55 g/mol
Exact Mass432.15
IUPAC Name4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(4-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1
InChIInChI=1S/C25H24N2O3S/c1-30-22-13-7-18(8-14-22)15-26-24(29)20-9-11-21(12-10-20)25-27(23(28)17-31-25)16-19-5-3-2-4-6-19/h2-14,25H,15-17H2,1H3,(H,26,29)/t25-/m0/s1
InChIKeyYPPYZYWXUIUOBB-VWLOTQADSA-N
XLogP4.40
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 94019723
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 46772568
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-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(pyridin-4-ylmethyl)benzamide
CID 1142986
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 46772057
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-[2-(3-methoxyphenoxy)ethyl]benzamide
CID 133244546
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-(2-methylpropyl)benzamide
CID 3139076
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 133244543
3-[(4-methoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one
CID 11842574
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 5008223
4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(pyridin-2-ylmethyl)benzamide
CID 1280635

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(4-methoxyphenyl)methyl]benzamide?
The IUPAC name of 4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(4-methoxyphenyl)methyl]benzamide (CID 1278524) is 4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(4-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(4-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(4-methoxyphenyl)methyl]benzamide is COc1ccc(CNC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1.
What is the InChIKey of 4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(4-methoxyphenyl)methyl]benzamide?
The InChIKey is YPPYZYWXUIUOBB-VWLOTQADSA-N. The full InChI is InChI=1S/C25H24N2O3S/c1-30-22-13-7-18(8-14-22)15-26-24(29)20-9-11-21(12-10-20)25-27(23(28)17-31-25)16-19-5-3-2-4-6-19/h2-14,25H,15-17H2,1H3,(H,26,29)/t25-/m0/s1.
What are the key properties of 4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(4-methoxyphenyl)methyl]benzamide?
4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(4-methoxyphenyl)methyl]benzamide has a molecular weight of 432.55 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(4-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 1278524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).