2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[2-[2-[2-[2-[4-(6-hydroxy-1,3-benzothiazol-2-yl)anilino]ethoxy]ethoxy]ethoxy]ethyl]acetamide

C36H37N5O10S — CID 162522047

About 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[2-[2-[2-[2-[4-(6-hydroxy-1,3-benzothiazol-2-yl)anilino]ethoxy]ethoxy]ethoxy]ethyl]acetamide

2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[2-[2-[2-[2-[4-(6-hydroxy-1,3-benzothiazol-2-yl)anilino]ethoxy]ethoxy]ethoxy]ethyl]acetamide (PubChem CID 162522047) has the molecular formula C36H37N5O10S and a molecular weight of 731.78 g/mol. Its IUPAC name is 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[2-[2-[2-[2-[4-(6-hydroxy-1,3-benzothiazol-2-yl)anilino]ethoxy]ethoxy]ethoxy]ethyl]acetamide.

Molecular Properties

• Compound Name: 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[2-[2-[2-[2-[4-(6-hydroxy-1,3-benzothiazol-2-yl)anilino]ethoxy]ethoxy]ethoxy]ethyl]acetamide
• PubChem CID: 162522047
• Molecular Formula: C36H37N5O10S
• Molecular Weight: 731.78 g/mol
• Exact Mass: 731.23
• IUPAC Name: 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[2-[2-[2-[2-[4-(6-hydroxy-1,3-benzothiazol-2-yl)anilino]ethoxy]ethoxy]ethoxy]ethyl]acetamide
• SMILES: O=C(COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCOCCOCCOCCNc1ccc(-c2nc3ccc(O)cc3s2)cc1
• InChI: InChI=1S/C36H37N5O10S/c42-24-8-9-26-29(20-24)52-34(39-26)22-4-6-23(7-5-22)37-12-14-48-16-18-50-19-17-49-15-13-38-31(44)21-51-28-3-1-2-25-32(28)36(47)41(35(25)46)27-10-11-30(43)40-33(27)45/h1-9,20,27,37,42H,10-19,21H2,(H,38,44)(H,40,43,45)
• InChIKey: GYYBDHVZZWWBHC-UHFFFAOYSA-N
• XLogP: 2.73
• TPSA: 194.72 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 18
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	731.78
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[2-[2-[2-[2-[4-(6-hydroxy-1,3-benzothiazol-2-yl)anilino]ethoxy]ethoxy]ethoxy]ethyl]acetamide?

The IUPAC name of 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[2-[2-[2-[2-[4-(6-hydroxy-1,3-benzothiazol-2-yl)anilino]ethoxy]ethoxy]ethoxy]ethyl]acetamide (CID 162522047) is 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[2-[2-[2-[2-[4-(6-hydroxy-1,3-benzothiazol-2-yl)anilino]ethoxy]ethoxy]ethoxy]ethyl]acetamide.

What is the SMILES notation for 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[2-[2-[2-[2-[4-(6-hydroxy-1,3-benzothiazol-2-yl)anilino]ethoxy]ethoxy]ethoxy]ethyl]acetamide?

The canonical SMILES for 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[2-[2-[2-[2-[4-(6-hydroxy-1,3-benzothiazol-2-yl)anilino]ethoxy]ethoxy]ethoxy]ethyl]acetamide is O=C(COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCOCCOCCOCCNc1ccc(-c2nc3ccc(O)cc3s2)cc1.

What is the InChIKey of 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[2-[2-[2-[2-[4-(6-hydroxy-1,3-benzothiazol-2-yl)anilino]ethoxy]ethoxy]ethoxy]ethyl]acetamide?

The InChIKey is GYYBDHVZZWWBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H37N5O10S/c42-24-8-9-26-29(20-24)52-34(39-26)22-4-6-23(7-5-22)37-12-14-48-16-18-50-19-17-49-15-13-38-31(44)21-51-28-3-1-2-25-32(28)36(47)41(35(25)46)27-10-11-30(43)40-33(27)45/h1-9,20,27,37,42H,10-19,21H2,(H,38,44)(H,40,43,45).

What are the key properties of 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[2-[2-[2-[2-[4-(6-hydroxy-1,3-benzothiazol-2-yl)anilino]ethoxy]ethoxy]ethoxy]ethyl]acetamide?

2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[2-[2-[2-[2-[4-(6-hydroxy-1,3-benzothiazol-2-yl)anilino]ethoxy]ethoxy]ethoxy]ethyl]acetamide has a molecular weight of 731.78 g/mol, XLogP of 2.73, 18 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[2-[2-[2-[2-[4-(6-hydroxy-1,3-benzothiazol-2-yl)anilino]ethoxy]ethoxy]ethoxy]ethyl]acetamide is sourced from PubChem (CID 162522047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).