ethyl 2-[(5Z)-3-[2-(4-acetamidoanilino)-2-oxoethyl]-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetate

C22H21N3O5S2 — CID 7042357

IUPACethyl 2-[(5Z)-3-[2-(4-acetamidoanilino)-2-oxoethyl]-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetate
SMILESCCOC(=O)C=c1s/c(=C\c2cccs2)c(=O)n1CC(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C22H21N3O5S2/c1-3-30-21(28)12-20-25(22(29)18(32-20)11-17-5-4-10-31-17)13-19(27)24-16-8-6-15(7-9-16)23-14(2)26/h4-12H,3,13H2,1-2H3,(H,23,26)(H,24,27)/b18-11-,20-12?
InChIKeySRQVZVMTDYTHJB-JESZWAGYSA-N
MW471.56 g/mol
LogP1.74
Rot. Bonds7

About ethyl 2-[(5Z)-3-[2-(4-acetamidoanilino)-2-oxoethyl]-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetate

ethyl 2-[(5Z)-3-[2-(4-acetamidoanilino)-2-oxoethyl]-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetate (PubChem CID 7042357) has the molecular formula C22H21N3O5S2 and a molecular weight of 471.56 g/mol. Its IUPAC name is ethyl 2-[(5Z)-3-[2-(4-acetamidoanilino)-2-oxoethyl]-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetate.

Molecular Properties

Compound Nameethyl 2-[(5Z)-3-[2-(4-acetamidoanilino)-2-oxoethyl]-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetate
PubChem CID7042357
Molecular FormulaC22H21N3O5S2
Molecular Weight471.56 g/mol
Exact Mass471.09
IUPAC Nameethyl 2-[(5Z)-3-[2-(4-acetamidoanilino)-2-oxoethyl]-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetate
SMILESCCOC(=O)C=c1s/c(=C\c2cccs2)c(=O)n1CC(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C22H21N3O5S2/c1-3-30-21(28)12-20-25(22(29)18(32-20)11-17-5-4-10-31-17)13-19(27)24-16-8-6-15(7-9-16)23-14(2)26/h4-12H,3,13H2,1-2H3,(H,23,26)(H,24,27)/b18-11-,20-12?
InChIKeySRQVZVMTDYTHJB-JESZWAGYSA-N
XLogP1.74
TPSA106.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[(5Z)-3-[2-(4-acetamidoanilino)-2-oxoethyl]-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetate with MolForge

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Related Compounds

ethyl (2Z)-2-[(5Z)-3-[2-(2-methylpropylamino)-2-oxoethyl]-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetate
CID 2091377
ethyl (2Z)-2-[(5E)-3-[2-(dimethylamino)-2-oxoethyl]-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetate
CID 2476448
ethyl (2E)-2-[(5Z)-4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetate
CID 2530675
methyl 4-[[3-(2-anilino-2-oxoethyl)-2-(2-ethoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoate
CID 3610770
ethyl (2Z)-2-[(5Z)-5-[(3,4-difluorophenyl)methylidene]-3-[2-(3-fluoroanilino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 29423597
ethyl (2E)-2-[(5Z)-5-[(4-tert-butylphenyl)methylidene]-3-[2-(3-fluoroanilino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 2472539
ethyl (2Z)-2-[(5Z)-5-[(4-tert-butylphenyl)methylidene]-3-[2-(3-fluoroanilino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 2472541
ethyl (2Z)-2-[(5Z)-4-oxo-3-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]acetate
CID 6519853
ethyl (2Z)-2-[(5E)-5-[(4-methylsulfanylphenyl)methylidene]-4-oxo-3-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1,3-thiazolidin-2-ylidene]acetate
CID 2485219
ethyl (2Z)-2-[(5Z)-3-[2-(3-fluoroanilino)-2-oxoethyl]-5-[(4-methoxy-3-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 24582982
ethyl (2Z)-2-[(5E)-3-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetate
CID 2452011
ethyl (2E)-2-[(5E)-3-[2-(3-fluoroanilino)-2-oxoethyl]-4-oxo-5-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylidene]-1,3-thiazolidin-2-ylidene]acetate
CID 55771913

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5Z)-3-[2-(4-acetamidoanilino)-2-oxoethyl]-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetate?
The IUPAC name of ethyl 2-[(5Z)-3-[2-(4-acetamidoanilino)-2-oxoethyl]-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetate (CID 7042357) is ethyl 2-[(5Z)-3-[2-(4-acetamidoanilino)-2-oxoethyl]-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetate.
What is the SMILES notation for ethyl 2-[(5Z)-3-[2-(4-acetamidoanilino)-2-oxoethyl]-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetate?
The canonical SMILES for ethyl 2-[(5Z)-3-[2-(4-acetamidoanilino)-2-oxoethyl]-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetate is CCOC(=O)C=c1s/c(=C\c2cccs2)c(=O)n1CC(=O)Nc1ccc(NC(C)=O)cc1.
What is the InChIKey of ethyl 2-[(5Z)-3-[2-(4-acetamidoanilino)-2-oxoethyl]-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetate?
The InChIKey is SRQVZVMTDYTHJB-JESZWAGYSA-N. The full InChI is InChI=1S/C22H21N3O5S2/c1-3-30-21(28)12-20-25(22(29)18(32-20)11-17-5-4-10-31-17)13-19(27)24-16-8-6-15(7-9-16)23-14(2)26/h4-12H,3,13H2,1-2H3,(H,23,26)(H,24,27)/b18-11-,20-12?.
What are the key properties of ethyl 2-[(5Z)-3-[2-(4-acetamidoanilino)-2-oxoethyl]-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetate?
ethyl 2-[(5Z)-3-[2-(4-acetamidoanilino)-2-oxoethyl]-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetate has a molecular weight of 471.56 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5Z)-3-[2-(4-acetamidoanilino)-2-oxoethyl]-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetate is sourced from PubChem (CID 7042357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).