2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]-N-[10-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethylamino]decyl]acetamide

C40H48F2N6O8S — CID 155022225

About 2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]-N-[10-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethylamino]decyl]acetamide

2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]-N-[10-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethylamino]decyl]acetamide (PubChem CID 155022225) has the molecular formula C40H48F2N6O8S and a molecular weight of 810.92 g/mol. Its IUPAC name is 2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]-N-[10-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethylamino]decyl]acetamide.

Molecular Properties

• Compound Name: 2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]-N-[10-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethylamino]decyl]acetamide
• PubChem CID: 155022225
• Molecular Formula: C40H48F2N6O8S
• Molecular Weight: 810.92 g/mol
• Exact Mass: 810.32
• IUPAC Name: 2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]-N-[10-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethylamino]decyl]acetamide
• SMILES: O=C(COc1c(-c2csc(N3CCOCC3)n2)ccc(F)c1F)NCCCCCCCCCCNCCOc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
• InChI: InChI=1S/C40H48F2N6O8S/c41-28-13-12-26(29-25-57-40(45-29)47-19-22-54-23-20-47)36(35(28)42)56-24-33(50)44-17-8-6-4-2-1-3-5-7-16-43-18-21-55-31-11-9-10-27-34(31)39(53)48(38(27)52)30-14-15-32(49)46-37(30)51/h9-13,25,30,43H,1-8,14-24H2,(H,44,50)(H,46,49,51)
• InChIKey: XOSAOFHGRSQDEW-UHFFFAOYSA-N
• XLogP: 4.61
• TPSA: 168.50 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 21
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	810.92
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

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-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]-N-[10-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethylamino]decyl]acetamide?

The IUPAC name of 2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]-N-[10-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethylamino]decyl]acetamide (CID 155022225) is 2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]-N-[10-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethylamino]decyl]acetamide.

What is the SMILES notation for 2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]-N-[10-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethylamino]decyl]acetamide?

The canonical SMILES for 2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]-N-[10-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethylamino]decyl]acetamide is O=C(COc1c(-c2csc(N3CCOCC3)n2)ccc(F)c1F)NCCCCCCCCCCNCCOc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.

What is the InChIKey of 2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]-N-[10-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethylamino]decyl]acetamide?

The InChIKey is XOSAOFHGRSQDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H48F2N6O8S/c41-28-13-12-26(29-25-57-40(45-29)47-19-22-54-23-20-47)36(35(28)42)56-24-33(50)44-17-8-6-4-2-1-3-5-7-16-43-18-21-55-31-11-9-10-27-34(31)39(53)48(38(27)52)30-14-15-32(49)46-37(30)51/h9-13,25,30,43H,1-8,14-24H2,(H,44,50)(H,46,49,51).

What are the key properties of 2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]-N-[10-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethylamino]decyl]acetamide?

2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]-N-[10-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethylamino]decyl]acetamide has a molecular weight of 810.92 g/mol, XLogP of 4.61, 21 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]-N-[10-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethylamino]decyl]acetamide is sourced from PubChem (CID 155022225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).