2-[2-(4-chlorophenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethoxyphenyl)acetamide

C23H26ClN3O5S — CID 5051918

IUPAC2-[2-(4-chlorophenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethoxyphenyl)acetamide
SMILESCOCCCN1C(=O)C(CC(=O)Nc2cc(OC)ccc2OC)S/C1=N\c1ccc(Cl)cc1
InChIInChI=1S/C23H26ClN3O5S/c1-30-12-4-11-27-22(29)20(33-23(27)25-16-7-5-15(24)6-8-16)14-21(28)26-18-13-17(31-2)9-10-19(18)32-3/h5-10,13,20H,4,11-12,14H2,1-3H3,(H,26,28)/b25-23-
InChIKeyZZWWVQIFISFPRT-BZZOAKBMSA-N
MW492.00 g/mol
LogP4.35
Rot. Bonds10

About 2-[2-(4-chlorophenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethoxyphenyl)acetamide

2-[2-(4-chlorophenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethoxyphenyl)acetamide (PubChem CID 5051918) has the molecular formula C23H26ClN3O5S and a molecular weight of 492.00 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethoxyphenyl)acetamide
PubChem CID5051918
Molecular FormulaC23H26ClN3O5S
Molecular Weight492.00 g/mol
Exact Mass491.13
IUPAC Name2-[2-(4-chlorophenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethoxyphenyl)acetamide
SMILESCOCCCN1C(=O)C(CC(=O)Nc2cc(OC)ccc2OC)S/C1=N\c1ccc(Cl)cc1
InChIInChI=1S/C23H26ClN3O5S/c1-30-12-4-11-27-22(29)20(33-23(27)25-16-7-5-15(24)6-8-16)14-21(28)26-18-13-17(31-2)9-10-19(18)32-3/h5-10,13,20H,4,11-12,14H2,1-3H3,(H,26,28)/b25-23-
InChIKeyZZWWVQIFISFPRT-BZZOAKBMSA-N
XLogP4.35
TPSA89.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.00
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[(5R)-2-(4-chlorophenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 2385516
2-[3-(3-ethoxypropyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 42990697
N-(2,3-dichlorophenyl)-2-[3-(2-methoxyethyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 46802747
N-(2,5-dimethylphenyl)-2-[3-(3-methoxypropyl)-4-oxo-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-5-yl]acetamide
CID 42993938
N-(2,5-dimethylphenyl)-2-[3-(3-methoxypropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 18206216
N-(3-chloro-4-methoxyphenyl)-2-[3-(3-methoxypropyl)-2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 55355494
N-(2,3-dichlorophenyl)-2-[2-(3,5-dimethylphenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 46802663
N-(2,5-dimethoxyphenyl)-2-[(5R)-4-oxo-2-phenylimino-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide
CID 41056673
2-[2-(2,6-dimethylphenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 42990888
2-[(5S)-3-(2-methoxyethyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 41070774
2-[3-butyl-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 42990670
N-(3-chlorophenyl)-2-[(5R)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 98307906

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethoxyphenyl)acetamide (CID 5051918) is 2-[2-(4-chlorophenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethoxyphenyl)acetamide is COCCCN1C(=O)C(CC(=O)Nc2cc(OC)ccc2OC)S/C1=N\c1ccc(Cl)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethoxyphenyl)acetamide?
The InChIKey is ZZWWVQIFISFPRT-BZZOAKBMSA-N. The full InChI is InChI=1S/C23H26ClN3O5S/c1-30-12-4-11-27-22(29)20(33-23(27)25-16-7-5-15(24)6-8-16)14-21(28)26-18-13-17(31-2)9-10-19(18)32-3/h5-10,13,20H,4,11-12,14H2,1-3H3,(H,26,28)/b25-23-.
What are the key properties of 2-[2-(4-chlorophenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethoxyphenyl)acetamide?
2-[2-(4-chlorophenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethoxyphenyl)acetamide has a molecular weight of 492.00 g/mol, XLogP of 4.35, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 5051918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).