2-[(5Z)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methoxyphenyl)acetamide

C19H15ClN2O4S — CID 16632106

IUPAC2-[(5Z)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Cl)cc3)C2=O)cc1
InChIInChI=1S/C19H15ClN2O4S/c1-26-15-8-6-14(7-9-15)21-17(23)11-22-18(24)16(27-19(22)25)10-12-2-4-13(20)5-3-12/h2-10H,11H2,1H3,(H,21,23)/b16-10-
InChIKeyHJOOAAMYMWWUDG-YBEGLDIGSA-N
MW402.86 g/mol
LogP4.02
Rot. Bonds5

About 2-[(5Z)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methoxyphenyl)acetamide

2-[(5Z)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 16632106) has the molecular formula C19H15ClN2O4S and a molecular weight of 402.86 g/mol. Its IUPAC name is 2-[(5Z)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(5Z)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methoxyphenyl)acetamide
PubChem CID16632106
Molecular FormulaC19H15ClN2O4S
Molecular Weight402.86 g/mol
Exact Mass402.04
IUPAC Name2-[(5Z)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Cl)cc3)C2=O)cc1
InChIInChI=1S/C19H15ClN2O4S/c1-26-15-8-6-14(7-9-15)21-17(23)11-22-18(24)16(27-19(22)25)10-12-2-4-13(20)5-3-12/h2-10H,11H2,1H3,(H,21,23)/b16-10-
InChIKeyHJOOAAMYMWWUDG-YBEGLDIGSA-N
XLogP4.02
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.86
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-chlorophenyl)-N-(4-methoxyphenyl)prop-2-enamide
CID 692416
N-[(4-chlorophenyl)methyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 2655390
3-Benzyl-5-(4-ethoxyanilino)-1,3-thiazolidine-2,4-dione
CID 3145414
1-(4-chlorophenethyl)-N-(4-methoxyphenyl)-5-oxo-3-pyrrolidinecarboxamide
CID 2815651
4-Imidazolidinone, 5-((4-chlorophenyl)methylene)-3-(4-ethoxyphenyl)-2-thioxo-
CID 5507476
3-Chloro-4-(4-methoxy-phenylamino)-1-phenethyl-pyrrole-2,5-dione
CID 1191565
N-[(4-chlorophenyl)methyl]-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide
CID 2240890
N-[2-(4-Chloro-benzylsulfanyl)-ethyl]-2-[(4-ethoxy-phenyl)-methanesulfonyl-amino]-acetamide
CID 2262330
2-(acetylamino)-N~1~-(2-chlorobenzyl)-N~3~-(4-methoxyphenyl)malonamide
CID 3765655
2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-phenylacetamide
CID 5845808
N-(4-chlorophenyl)-2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 16631988
2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methoxyphenyl)acetamide
CID 16632101

Frequently Asked Questions

What is the IUPAC name of 2-[(5Z)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[(5Z)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methoxyphenyl)acetamide (CID 16632106) is 2-[(5Z)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(5Z)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(5Z)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Cl)cc3)C2=O)cc1.
What is the InChIKey of 2-[(5Z)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is HJOOAAMYMWWUDG-YBEGLDIGSA-N. The full InChI is InChI=1S/C19H15ClN2O4S/c1-26-15-8-6-14(7-9-15)21-17(23)11-22-18(24)16(27-19(22)25)10-12-2-4-13(20)5-3-12/h2-10H,11H2,1H3,(H,21,23)/b16-10-.
What are the key properties of 2-[(5Z)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methoxyphenyl)acetamide?
2-[(5Z)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 402.86 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5Z)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 16632106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).