N-(2,3-dichlorophenyl)-2-[3-(2-methoxyethyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide

C21H21Cl2N3O4S — CID 46802747

IUPACN-(2,3-dichlorophenyl)-2-[3-(2-methoxyethyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCOCCN1C(=O)C(CC(=O)Nc2cccc(Cl)c2Cl)S/C1=N\c1ccc(OC)cc1
InChIInChI=1S/C21H21Cl2N3O4S/c1-29-11-10-26-20(28)17(12-18(27)25-16-5-3-4-15(22)19(16)23)31-21(26)24-13-6-8-14(30-2)9-7-13/h3-9,17H,10-12H2,1-2H3,(H,25,27)/b24-21-
InChIKeyFQAGZUSGYRAXAW-FLFQWRMESA-N
MW482.39 g/mol
LogP4.61
Rot. Bonds8

About N-(2,3-dichlorophenyl)-2-[3-(2-methoxyethyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide

N-(2,3-dichlorophenyl)-2-[3-(2-methoxyethyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 46802747) has the molecular formula C21H21Cl2N3O4S and a molecular weight of 482.39 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-[3-(2-methoxyethyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-[3-(2-methoxyethyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID46802747
Molecular FormulaC21H21Cl2N3O4S
Molecular Weight482.39 g/mol
Exact Mass481.06
IUPAC NameN-(2,3-dichlorophenyl)-2-[3-(2-methoxyethyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCOCCN1C(=O)C(CC(=O)Nc2cccc(Cl)c2Cl)S/C1=N\c1ccc(OC)cc1
InChIInChI=1S/C21H21Cl2N3O4S/c1-29-11-10-26-20(28)17(12-18(27)25-16-5-3-4-15(22)19(16)23)31-21(26)24-13-6-8-14(30-2)9-7-13/h3-9,17H,10-12H2,1-2H3,(H,25,27)/b24-21-
InChIKeyFQAGZUSGYRAXAW-FLFQWRMESA-N
XLogP4.61
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.39
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dichlorophenyl)-2-[(5S)-3-(2-methoxyethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 2700513
N-(2,3-dichlorophenyl)-2-[3-ethyl-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 5174487
N-(2,3-dichlorophenyl)-2-[2-(3,5-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 3381069
N-(3-chloro-2-methylphenyl)-2-[(5R)-3-(2-methoxyethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 2700436
N-(2,3-dichlorophenyl)-2-[2-(3,5-dimethylphenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 46802663
N-(2-chlorophenyl)-2-[(5S)-3-[(2-chlorophenyl)methyl]-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 28776187
N-(2-chlorophenyl)-2-[(5S)-2-(4-fluorophenyl)imino-3-[(4-methoxyphenyl)methyl]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 41244460
2-[2-(4-chlorophenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethoxyphenyl)acetamide
CID 5051918
2-[2-(3-chloro-4-methylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide
CID 42994090
2-[3-(3-ethoxypropyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 42990697
2-[(5S)-3-(2-methoxyethyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 41070774
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(5S)-3-(2-methoxyethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 2185155

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-[3-(2-methoxyethyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-[3-(2-methoxyethyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 46802747) is N-(2,3-dichlorophenyl)-2-[3-(2-methoxyethyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-[3-(2-methoxyethyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-[3-(2-methoxyethyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide is COCCN1C(=O)C(CC(=O)Nc2cccc(Cl)c2Cl)S/C1=N\c1ccc(OC)cc1.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-[3-(2-methoxyethyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is FQAGZUSGYRAXAW-FLFQWRMESA-N. The full InChI is InChI=1S/C21H21Cl2N3O4S/c1-29-11-10-26-20(28)17(12-18(27)25-16-5-3-4-15(22)19(16)23)31-21(26)24-13-6-8-14(30-2)9-7-13/h3-9,17H,10-12H2,1-2H3,(H,25,27)/b24-21-.
What are the key properties of N-(2,3-dichlorophenyl)-2-[3-(2-methoxyethyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
N-(2,3-dichlorophenyl)-2-[3-(2-methoxyethyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 482.39 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-2-[3-(2-methoxyethyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 46802747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).