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

C19H15ClN2O4S — CID 16631988

IUPACN-(4-chlorophenyl)-2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
SMILESCOc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)cc1
InChIInChI=1S/C19H15ClN2O4S/c1-26-15-8-2-12(3-9-15)10-16-18(24)22(19(25)27-16)11-17(23)21-14-6-4-13(20)5-7-14/h2-10H,11H2,1H3,(H,21,23)/b16-10-
InChIKeyLSFKFCDONPZULJ-YBEGLDIGSA-N
MW402.86 g/mol
LogP4.02
Rot. Bonds5

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

N-(4-chlorophenyl)-2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide (PubChem CID 16631988) has the molecular formula C19H15ClN2O4S and a molecular weight of 402.86 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
PubChem CID16631988
Molecular FormulaC19H15ClN2O4S
Molecular Weight402.86 g/mol
Exact Mass402.04
IUPAC NameN-(4-chlorophenyl)-2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
SMILESCOc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)cc1
InChIInChI=1S/C19H15ClN2O4S/c1-26-15-8-2-12(3-9-15)10-16-18(24)22(19(25)27-16)11-17(23)21-14-6-4-13(20)5-7-14/h2-10H,11H2,1H3,(H,21,23)/b16-10-
InChIKeyLSFKFCDONPZULJ-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

(Z)-N-(3-Chlorophenyl)-2-(4-((2,4-dioxothiazolidin-5-ylidene)methyl)phenoxy)acetamide
CID 18808443
N'-(3,4-dichlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 2213488
N-(3-chlorophenyl)-N'-[2-(4-methoxyphenyl)ethyl]ethanediamide
CID 2218090
N-(4-chlorophenyl)-N'-(4-methoxybenzyl)ethanediamide
CID 2281328
N1-(4-chlorophenyl)-N2-(4-methoxyphenethyl)oxalamide
CID 2876208
N'-(3-chloro-4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 7585054
N'-(4-chloro-3-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 117948144
[2-(3,5-dichloroanilino)-2-oxoethyl] 2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate
CID 2379929
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate
CID 2381082
N-(4-chloro-2-fluorophenyl)-2-[(2-methoxyphenyl)methyl-methylamino]acetamide
CID 2532920
2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-phenylacetamide
CID 5845808
(E)-N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-3-(3-methoxyphenyl)-N-methylprop-2-enamide
CID 16284818

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide (CID 16631988) is N-(4-chlorophenyl)-2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide is COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide?
The InChIKey is LSFKFCDONPZULJ-YBEGLDIGSA-N. The full InChI is InChI=1S/C19H15ClN2O4S/c1-26-15-8-2-12(3-9-15)10-16-18(24)22(19(25)27-16)11-17(23)21-14-6-4-13(20)5-7-14/h2-10H,11H2,1H3,(H,21,23)/b16-10-.
What are the key properties of N-(4-chlorophenyl)-2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide?
N-(4-chlorophenyl)-2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]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 N-(4-chlorophenyl)-2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide is sourced from PubChem (CID 16631988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).