2-[4-[3-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethoxy]ethoxy]prop-1-ynyl]-3-oxo-1H-isoindol-2-yl]-2-(5-fluoro-2-phenylmethoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide

C48H43FN6O10S — CID 135157208

About 2-[4-[3-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethoxy]ethoxy]prop-1-ynyl]-3-oxo-1H-isoindol-2-yl]-2-(5-fluoro-2-phenylmethoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide

2-[4-[3-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethoxy]ethoxy]prop-1-ynyl]-3-oxo-1H-isoindol-2-yl]-2-(5-fluoro-2-phenylmethoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 135157208) has the molecular formula C48H43FN6O10S and a molecular weight of 914.97 g/mol. Its IUPAC name is 2-[4-[3-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethoxy]ethoxy]prop-1-ynyl]-3-oxo-1H-isoindol-2-yl]-2-(5-fluoro-2-phenylmethoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-[4-[3-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethoxy]ethoxy]prop-1-ynyl]-3-oxo-1H-isoindol-2-yl]-2-(5-fluoro-2-phenylmethoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
• PubChem CID: 135157208
• Molecular Formula: C48H43FN6O10S
• Molecular Weight: 914.97 g/mol
• Exact Mass: 914.27
• IUPAC Name: 2-[4-[3-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethoxy]ethoxy]prop-1-ynyl]-3-oxo-1H-isoindol-2-yl]-2-(5-fluoro-2-phenylmethoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
• SMILES: O=C1CCC(N2C(=O)c3ccc(NCCOCCOCCOCC#Cc4cccc5c4C(=O)N(C(C(=O)Nc4nccs4)c4cc(F)ccc4OCc4ccccc4)C5)cc3C2=O)C(=O)N1
• InChI: InChI=1S/C48H43FN6O10S/c49-33-11-15-39(65-29-30-6-2-1-3-7-30)37(26-33)42(44(58)53-48-51-18-25-66-48)54-28-32-9-4-8-31(41(32)47(54)61)10-5-19-62-21-23-64-24-22-63-20-17-50-34-12-13-35-36(27-34)46(60)55(45(35)59)38-14-16-40(56)52-43(38)57/h1-4,6-9,11-13,15,18,25-27,38,42,50H,14,16-17,19-24,28-29H2,(H,51,53,58)(H,52,56,57)
• InChIKey: CPAAEVXRQYFPNU-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 194.80 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 19
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	914.97
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethoxy]ethoxy]prop-1-ynyl]-3-oxo-1H-isoindol-2-yl]-2-(5-fluoro-2-phenylmethoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide?

The IUPAC name of 2-[4-[3-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethoxy]ethoxy]prop-1-ynyl]-3-oxo-1H-isoindol-2-yl]-2-(5-fluoro-2-phenylmethoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide (CID 135157208) is 2-[4-[3-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethoxy]ethoxy]prop-1-ynyl]-3-oxo-1H-isoindol-2-yl]-2-(5-fluoro-2-phenylmethoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide.

What is the SMILES notation for 2-[4-[3-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethoxy]ethoxy]prop-1-ynyl]-3-oxo-1H-isoindol-2-yl]-2-(5-fluoro-2-phenylmethoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide?

The canonical SMILES for 2-[4-[3-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethoxy]ethoxy]prop-1-ynyl]-3-oxo-1H-isoindol-2-yl]-2-(5-fluoro-2-phenylmethoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide is O=C1CCC(N2C(=O)c3ccc(NCCOCCOCCOCC#Cc4cccc5c4C(=O)N(C(C(=O)Nc4nccs4)c4cc(F)ccc4OCc4ccccc4)C5)cc3C2=O)C(=O)N1.

What is the InChIKey of 2-[4-[3-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethoxy]ethoxy]prop-1-ynyl]-3-oxo-1H-isoindol-2-yl]-2-(5-fluoro-2-phenylmethoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide?

The InChIKey is CPAAEVXRQYFPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H43FN6O10S/c49-33-11-15-39(65-29-30-6-2-1-3-7-30)37(26-33)42(44(58)53-48-51-18-25-66-48)54-28-32-9-4-8-31(41(32)47(54)61)10-5-19-62-21-23-64-24-22-63-20-17-50-34-12-13-35-36(27-34)46(60)55(45(35)59)38-14-16-40(56)52-43(38)57/h1-4,6-9,11-13,15,18,25-27,38,42,50H,14,16-17,19-24,28-29H2,(H,51,53,58)(H,52,56,57).

What are the key properties of 2-[4-[3-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethoxy]ethoxy]prop-1-ynyl]-3-oxo-1H-isoindol-2-yl]-2-(5-fluoro-2-phenylmethoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide?

2-[4-[3-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethoxy]ethoxy]prop-1-ynyl]-3-oxo-1H-isoindol-2-yl]-2-(5-fluoro-2-phenylmethoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 914.97 g/mol, XLogP of 5.11, 19 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethoxy]ethoxy]prop-1-ynyl]-3-oxo-1H-isoindol-2-yl]-2-(5-fluoro-2-phenylmethoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 135157208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).