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

C26H26N2O4S — CID 46772568

IUPAC4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2ccc(C3SCC(=O)N3Cc3ccccc3)cc2)cc1OC
InChIInChI=1S/C26H26N2O4S/c1-31-22-13-8-19(14-23(22)32-2)15-27-25(30)20-9-11-21(12-10-20)26-28(24(29)17-33-26)16-18-6-4-3-5-7-18/h3-14,26H,15-17H2,1-2H3,(H,27,30)
InChIKeyMKYKRINJUDGDKJ-UHFFFAOYSA-N
MW462.57 g/mol
LogP4.41
Rot. Bonds8

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

4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide (PubChem CID 46772568) has the molecular formula C26H26N2O4S and a molecular weight of 462.57 g/mol. Its IUPAC name is 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide
PubChem CID46772568
Molecular FormulaC26H26N2O4S
Molecular Weight462.57 g/mol
Exact Mass462.16
IUPAC Name4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2ccc(C3SCC(=O)N3Cc3ccccc3)cc2)cc1OC
InChIInChI=1S/C26H26N2O4S/c1-31-22-13-8-19(14-23(22)32-2)15-27-25(30)20-9-11-21(12-10-20)26-28(24(29)17-33-26)16-18-6-4-3-5-7-18/h3-14,26H,15-17H2,1-2H3,(H,27,30)
InChIKeyMKYKRINJUDGDKJ-UHFFFAOYSA-N
XLogP4.41
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.57
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
CID 43910156
4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 1278524
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 133244543
4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]benzamide
CID 40840189
4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(pyridin-4-ylmethyl)benzamide
CID 1142986
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-(2-methylpropyl)benzamide
CID 3139076
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-[2-(3-methoxyphenoxy)ethyl]benzamide
CID 133244546
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide
CID 126415978
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
4-[(2S)-3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide
CID 92676898

Frequently Asked Questions

What is the IUPAC name of 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide?
The IUPAC name of 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide (CID 46772568) is 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide?
The canonical SMILES for 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide is COc1ccc(CNC(=O)c2ccc(C3SCC(=O)N3Cc3ccccc3)cc2)cc1OC.
What is the InChIKey of 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide?
The InChIKey is MKYKRINJUDGDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4S/c1-31-22-13-8-19(14-23(22)32-2)15-27-25(30)20-9-11-21(12-10-20)26-28(24(29)17-33-26)16-18-6-4-3-5-7-18/h3-14,26H,15-17H2,1-2H3,(H,27,30).
What are the key properties of 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide?
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide has a molecular weight of 462.57 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide is sourced from PubChem (CID 46772568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).