N-(5-chloro-2,4-dimethoxyphenyl)-2-[(5R)-2-(5-chloro-2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide

C21H21Cl2N3O5S — CID 41201265

About N-(5-chloro-2,4-dimethoxyphenyl)-2-[(5R)-2-(5-chloro-2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide

N-(5-chloro-2,4-dimethoxyphenyl)-2-[(5R)-2-(5-chloro-2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 41201265) has the molecular formula C21H21Cl2N3O5S and a molecular weight of 498.39 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-2-[(5R)-2-(5-chloro-2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

• Compound Name: N-(5-chloro-2,4-dimethoxyphenyl)-2-[(5R)-2-(5-chloro-2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
• PubChem CID: 41201265
• Molecular Formula: C21H21Cl2N3O5S
• Molecular Weight: 498.39 g/mol
• Exact Mass: 497.06
• IUPAC Name: N-(5-chloro-2,4-dimethoxyphenyl)-2-[(5R)-2-(5-chloro-2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
• SMILES: COc1cc(OC)c(NC(=O)C[C@H]2S/C(=N/c3cc(Cl)ccc3OC)N(C)C2=O)cc1Cl
• InChI: InChI=1S/C21H21Cl2N3O5S/c1-26-20(28)18(32-21(26)25-13-7-11(22)5-6-15(13)29-2)10-19(27)24-14-8-12(23)16(30-3)9-17(14)31-4/h5-9,18H,10H2,1-4H3,(H,24,27)/b25-21+/t18-/m1/s1
• InChIKey: QJVRGMSBAOECBL-IQWWUADYSA-N
• XLogP: 4.61
• TPSA: 89.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.39
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-[(5R)-2-(5-chloro-2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide?

The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-[(5R)-2-(5-chloro-2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 41201265) is N-(5-chloro-2,4-dimethoxyphenyl)-2-[(5R)-2-(5-chloro-2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide.

What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-2-[(5R)-2-(5-chloro-2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide?

The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-2-[(5R)-2-(5-chloro-2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide is COc1cc(OC)c(NC(=O)C[C@H]2S/C(=N/c3cc(Cl)ccc3OC)N(C)C2=O)cc1Cl.

What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-2-[(5R)-2-(5-chloro-2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide?

The InChIKey is QJVRGMSBAOECBL-IQWWUADYSA-N. The full InChI is InChI=1S/C21H21Cl2N3O5S/c1-26-20(28)18(32-21(26)25-13-7-11(22)5-6-15(13)29-2)10-19(27)24-14-8-12(23)16(30-3)9-17(14)31-4/h5-9,18H,10H2,1-4H3,(H,24,27)/b25-21+/t18-/m1/s1.

What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-2-[(5R)-2-(5-chloro-2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide?

N-(5-chloro-2,4-dimethoxyphenyl)-2-[(5R)-2-(5-chloro-2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 498.39 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-chloro-2,4-dimethoxyphenyl)-2-[(5R)-2-(5-chloro-2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 41201265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).