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

C24H22ClN3O4S — CID 3532593

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

N-(3-chloro-4-methoxyphenyl)-2-[2,4-dioxo-5-[(1-propylindol-3-yl)methylidene]-1,3-thiazolidin-3-yl]acetamide (PubChem CID 3532593) has the molecular formula C24H22ClN3O4S and a molecular weight of 483.98 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-[2,4-dioxo-5-[(1-propylindol-3-yl)methylidene]-1,3-thiazolidin-3-yl]acetamide.

Molecular Properties

• Compound Name: N-(3-chloro-4-methoxyphenyl)-2-[2,4-dioxo-5-[(1-propylindol-3-yl)methylidene]-1,3-thiazolidin-3-yl]acetamide
• PubChem CID: 3532593
• Molecular Formula: C24H22ClN3O4S
• Molecular Weight: 483.98 g/mol
• Exact Mass: 483.10
• IUPAC Name: N-(3-chloro-4-methoxyphenyl)-2-[2,4-dioxo-5-[(1-propylindol-3-yl)methylidene]-1,3-thiazolidin-3-yl]acetamide
• SMILES: CCCn1cc(C=C2SC(=O)N(CC(=O)Nc3ccc(OC)c(Cl)c3)C2=O)c2ccccc21
• InChI: InChI=1S/C24H22ClN3O4S/c1-3-10-27-13-15(17-6-4-5-7-19(17)27)11-21-23(30)28(24(31)33-21)14-22(29)26-16-8-9-20(32-2)18(25)12-16/h4-9,11-13H,3,10,14H2,1-2H3,(H,26,29)
• InChIKey: QADYCFIYLZCBBG-UHFFFAOYSA-N
• XLogP: 5.39
• TPSA: 80.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.98
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[2,4-dioxo-5-[(1-propylindol-3-yl)methylidene]-1,3-thiazolidin-3-yl]acetamide?

The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[2,4-dioxo-5-[(1-propylindol-3-yl)methylidene]-1,3-thiazolidin-3-yl]acetamide (CID 3532593) is N-(3-chloro-4-methoxyphenyl)-2-[2,4-dioxo-5-[(1-propylindol-3-yl)methylidene]-1,3-thiazolidin-3-yl]acetamide.

What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-[2,4-dioxo-5-[(1-propylindol-3-yl)methylidene]-1,3-thiazolidin-3-yl]acetamide?

The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-[2,4-dioxo-5-[(1-propylindol-3-yl)methylidene]-1,3-thiazolidin-3-yl]acetamide is CCCn1cc(C=C2SC(=O)N(CC(=O)Nc3ccc(OC)c(Cl)c3)C2=O)c2ccccc21.

What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-[2,4-dioxo-5-[(1-propylindol-3-yl)methylidene]-1,3-thiazolidin-3-yl]acetamide?

The InChIKey is QADYCFIYLZCBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O4S/c1-3-10-27-13-15(17-6-4-5-7-19(17)27)11-21-23(30)28(24(31)33-21)14-22(29)26-16-8-9-20(32-2)18(25)12-16/h4-9,11-13H,3,10,14H2,1-2H3,(H,26,29).

What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-[2,4-dioxo-5-[(1-propylindol-3-yl)methylidene]-1,3-thiazolidin-3-yl]acetamide?

N-(3-chloro-4-methoxyphenyl)-2-[2,4-dioxo-5-[(1-propylindol-3-yl)methylidene]-1,3-thiazolidin-3-yl]acetamide has a molecular weight of 483.98 g/mol, XLogP of 5.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chloro-4-methoxyphenyl)-2-[2,4-dioxo-5-[(1-propylindol-3-yl)methylidene]-1,3-thiazolidin-3-yl]acetamide is sourced from PubChem (CID 3532593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).