2-[2-chloro-4-[(Z)-[3-(4-chlorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-6-ethoxyphenoxy]-N-(2,4-dimethylphenyl)acetamide

C28H24Cl2N2O4S2 — CID 126237047

IUPAC2-[2-chloro-4-[(Z)-[3-(4-chlorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-6-ethoxyphenoxy]-N-(2,4-dimethylphenyl)acetamide
SMILESCCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C28H24Cl2N2O4S2/c1-4-35-23-13-18(14-24-27(34)32(28(37)38-24)20-8-6-19(29)7-9-20)12-21(30)26(23)36-15-25(33)31-22-10-5-16(2)11-17(22)3/h5-14H,4,15H2,1-3H3,(H,31,33)/b24-14-
InChIKeyGMKXLXYEBWHLFH-OYKKKHCWSA-N
MW587.55 g/mol
LogP7.43
Rot. Bonds8

About 2-[2-chloro-4-[(Z)-[3-(4-chlorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-6-ethoxyphenoxy]-N-(2,4-dimethylphenyl)acetamide

2-[2-chloro-4-[(Z)-[3-(4-chlorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-6-ethoxyphenoxy]-N-(2,4-dimethylphenyl)acetamide (PubChem CID 126237047) has the molecular formula C28H24Cl2N2O4S2 and a molecular weight of 587.55 g/mol. Its IUPAC name is 2-[2-chloro-4-[(Z)-[3-(4-chlorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-6-ethoxyphenoxy]-N-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-chloro-4-[(Z)-[3-(4-chlorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-6-ethoxyphenoxy]-N-(2,4-dimethylphenyl)acetamide
PubChem CID126237047
Molecular FormulaC28H24Cl2N2O4S2
Molecular Weight587.55 g/mol
Exact Mass586.06
IUPAC Name2-[2-chloro-4-[(Z)-[3-(4-chlorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-6-ethoxyphenoxy]-N-(2,4-dimethylphenyl)acetamide
SMILESCCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C28H24Cl2N2O4S2/c1-4-35-23-13-18(14-24-27(34)32(28(37)38-24)20-8-6-19(29)7-9-20)12-21(30)26(23)36-15-25(33)31-22-10-5-16(2)11-17(22)3/h5-14H,4,15H2,1-3H3,(H,31,33)/b24-14-
InChIKeyGMKXLXYEBWHLFH-OYKKKHCWSA-N
XLogP7.43
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.55
LogP ≤ 57.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-[2-chloro-6-ethoxy-4-[(Z)-[3-(4-ethylphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(2,4-dimethylphenyl)acetamide
CID 126234727
2-[2-chloro-6-ethoxy-4-[(Z)-(4-oxo-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(2,4-dimethylphenyl)acetamide
CID 126263756
2-[2-chloro-4-[(Z)-[3-(2,4-dimethylphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-6-ethoxyphenoxy]-N-(4-ethylphenyl)acetamide
CID 126248834
2-[2-chloro-6-ethoxy-4-[(Z)-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(2,4-dimethylphenyl)acetamide
CID 126252617
N-(2-chlorophenyl)-2-[4-[(Z)-[3-(4-chlorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-2-ethoxyphenoxy]acetamide
CID 126235816
2-[4-[(Z)-[3-(3-chloro-4-methylphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenoxy]-N-(2,4-dimethylphenyl)acetamide
CID 126227291
2-[2-chloro-4-[(Z)-[3-(4-ethylphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-6-methoxyphenoxy]-N-(4-chlorophenyl)acetamide
CID 126240608
N-(5-chloro-2-methylphenyl)-2-[4-[(Z)-[3-(3-chloro-4-methylphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-2-ethoxyphenoxy]acetamide
CID 126238022
N-(2,4-dichlorophenyl)-2-[2-ethoxy-4-[(Z)-[3-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide
CID 126251326
N-(5-chloro-2-methylphenyl)-2-[2-ethoxy-4-[(Z)-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide
CID 126278200
2-[2-chloro-4-[(Z)-[3-(2,4-dimethylphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-6-methoxyphenoxy]-N-(2-fluorophenyl)acetamide
CID 126226760
2-[4-[(Z)-[3-(4-chlorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenoxy]-N-(2-ethoxyphenyl)acetamide
CID 126355258

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-[(Z)-[3-(4-chlorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-6-ethoxyphenoxy]-N-(2,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[2-chloro-4-[(Z)-[3-(4-chlorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-6-ethoxyphenoxy]-N-(2,4-dimethylphenyl)acetamide (CID 126237047) is 2-[2-chloro-4-[(Z)-[3-(4-chlorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-6-ethoxyphenoxy]-N-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[2-chloro-4-[(Z)-[3-(4-chlorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-6-ethoxyphenoxy]-N-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[2-chloro-4-[(Z)-[3-(4-chlorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-6-ethoxyphenoxy]-N-(2,4-dimethylphenyl)acetamide is CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C.
What is the InChIKey of 2-[2-chloro-4-[(Z)-[3-(4-chlorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-6-ethoxyphenoxy]-N-(2,4-dimethylphenyl)acetamide?
The InChIKey is GMKXLXYEBWHLFH-OYKKKHCWSA-N. The full InChI is InChI=1S/C28H24Cl2N2O4S2/c1-4-35-23-13-18(14-24-27(34)32(28(37)38-24)20-8-6-19(29)7-9-20)12-21(30)26(23)36-15-25(33)31-22-10-5-16(2)11-17(22)3/h5-14H,4,15H2,1-3H3,(H,31,33)/b24-14-.
What are the key properties of 2-[2-chloro-4-[(Z)-[3-(4-chlorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-6-ethoxyphenoxy]-N-(2,4-dimethylphenyl)acetamide?
2-[2-chloro-4-[(Z)-[3-(4-chlorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-6-ethoxyphenoxy]-N-(2,4-dimethylphenyl)acetamide has a molecular weight of 587.55 g/mol, XLogP of 7.43, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-[(Z)-[3-(4-chlorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-6-ethoxyphenoxy]-N-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 126237047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).