methyl 4-[[3-(2-anilino-2-oxoethyl)-2-(2-ethoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoate

C24H22N2O6S — CID 3610770

IUPACmethyl 4-[[3-(2-anilino-2-oxoethyl)-2-(2-ethoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoate
SMILESCCOC(=O)C=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1CC(=O)Nc1ccccc1
InChIInChI=1S/C24H22N2O6S/c1-3-32-22(28)14-21-26(15-20(27)25-18-7-5-4-6-8-18)23(29)19(33-21)13-16-9-11-17(12-10-16)24(30)31-2/h4-14H,3,15H2,1-2H3,(H,25,27)
InChIKeyIXACVZXYYMSNMY-UHFFFAOYSA-N
MW466.52 g/mol
LogP1.51
Rot. Bonds7

About methyl 4-[[3-(2-anilino-2-oxoethyl)-2-(2-ethoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoate

methyl 4-[[3-(2-anilino-2-oxoethyl)-2-(2-ethoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoate (PubChem CID 3610770) has the molecular formula C24H22N2O6S and a molecular weight of 466.52 g/mol. Its IUPAC name is methyl 4-[[3-(2-anilino-2-oxoethyl)-2-(2-ethoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[3-(2-anilino-2-oxoethyl)-2-(2-ethoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoate
PubChem CID3610770
Molecular FormulaC24H22N2O6S
Molecular Weight466.52 g/mol
Exact Mass466.12
IUPAC Namemethyl 4-[[3-(2-anilino-2-oxoethyl)-2-(2-ethoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoate
SMILESCCOC(=O)C=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1CC(=O)Nc1ccccc1
InChIInChI=1S/C24H22N2O6S/c1-3-32-22(28)14-21-26(15-20(27)25-18-7-5-4-6-8-18)23(29)19(33-21)13-16-9-11-17(12-10-16)24(30)31-2/h4-14H,3,15H2,1-2H3,(H,25,27)
InChIKeyIXACVZXYYMSNMY-UHFFFAOYSA-N
XLogP1.51
TPSA103.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.52
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 4-[[3-(2-anilino-2-oxoethyl)-2-(2-ethoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[3-(2-anilino-2-oxoethyl)-2-(2-ethoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoate?
The IUPAC name of methyl 4-[[3-(2-anilino-2-oxoethyl)-2-(2-ethoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoate (CID 3610770) is methyl 4-[[3-(2-anilino-2-oxoethyl)-2-(2-ethoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoate.
What is the SMILES notation for methyl 4-[[3-(2-anilino-2-oxoethyl)-2-(2-ethoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoate?
The canonical SMILES for methyl 4-[[3-(2-anilino-2-oxoethyl)-2-(2-ethoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoate is CCOC(=O)C=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1CC(=O)Nc1ccccc1.
What is the InChIKey of methyl 4-[[3-(2-anilino-2-oxoethyl)-2-(2-ethoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoate?
The InChIKey is IXACVZXYYMSNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O6S/c1-3-32-22(28)14-21-26(15-20(27)25-18-7-5-4-6-8-18)23(29)19(33-21)13-16-9-11-17(12-10-16)24(30)31-2/h4-14H,3,15H2,1-2H3,(H,25,27).
What are the key properties of methyl 4-[[3-(2-anilino-2-oxoethyl)-2-(2-ethoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoate?
methyl 4-[[3-(2-anilino-2-oxoethyl)-2-(2-ethoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoate has a molecular weight of 466.52 g/mol, XLogP of 1.51, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[3-(2-anilino-2-oxoethyl)-2-(2-ethoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoate is sourced from PubChem (CID 3610770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).