2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[4-[6-hydroxy-2-(4-methylsulfonylphenyl)naphthalen-1-yl]oxyphenoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione

C46H47N3O13S — CID 171446715

About 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[4-[6-hydroxy-2-(4-methylsulfonylphenyl)naphthalen-1-yl]oxyphenoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[4-[6-hydroxy-2-(4-methylsulfonylphenyl)naphthalen-1-yl]oxyphenoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione (PubChem CID 171446715) has the molecular formula C46H47N3O13S and a molecular weight of 881.96 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[4-[6-hydroxy-2-(4-methylsulfonylphenyl)naphthalen-1-yl]oxyphenoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[4-[6-hydroxy-2-(4-methylsulfonylphenyl)naphthalen-1-yl]oxyphenoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione
• PubChem CID: 171446715
• Molecular Formula: C46H47N3O13S
• Molecular Weight: 881.96 g/mol
• Exact Mass: 881.28
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[4-[6-hydroxy-2-(4-methylsulfonylphenyl)naphthalen-1-yl]oxyphenoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione
• SMILES: CS(=O)(=O)c1ccc(-c2ccc3cc(O)ccc3c2Oc2ccc(OCCNCCOCCOCCOCCOc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)cc2)cc1
• InChI: InChI=1S/C46H47N3O13S/c1-63(55,56)36-11-2-30(3-12-36)37-13-4-31-28-32(50)5-14-38(31)43(37)62-34-8-6-33(7-9-34)60-21-19-47-18-20-57-22-23-58-24-25-59-26-27-61-35-10-15-39-40(29-35)46(54)49(45(39)53)41-16-17-42(51)48-44(41)52/h2-15,28-29,41,47,50H,16-27H2,1H3,(H,48,51,52)
• InChIKey: REFVISXECSUATB-UHFFFAOYSA-N
• XLogP: 4.91
• TPSA: 205.33 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 22
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	881.96
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

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-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[4-[6-hydroxy-2-(4-methylsulfonylphenyl)naphthalen-1-yl]oxyphenoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[4-[6-hydroxy-2-(4-methylsulfonylphenyl)naphthalen-1-yl]oxyphenoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione (CID 171446715) is 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[4-[6-hydroxy-2-(4-methylsulfonylphenyl)naphthalen-1-yl]oxyphenoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[4-[6-hydroxy-2-(4-methylsulfonylphenyl)naphthalen-1-yl]oxyphenoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[4-[6-hydroxy-2-(4-methylsulfonylphenyl)naphthalen-1-yl]oxyphenoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione is CS(=O)(=O)c1ccc(-c2ccc3cc(O)ccc3c2Oc2ccc(OCCNCCOCCOCCOCCOc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)cc2)cc1.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[4-[6-hydroxy-2-(4-methylsulfonylphenyl)naphthalen-1-yl]oxyphenoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione?

The InChIKey is REFVISXECSUATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H47N3O13S/c1-63(55,56)36-11-2-30(3-12-36)37-13-4-31-28-32(50)5-14-38(31)43(37)62-34-8-6-33(7-9-34)60-21-19-47-18-20-57-22-23-58-24-25-59-26-27-61-35-10-15-39-40(29-35)46(54)49(45(39)53)41-16-17-42(51)48-44(41)52/h2-15,28-29,41,47,50H,16-27H2,1H3,(H,48,51,52).

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[4-[6-hydroxy-2-(4-methylsulfonylphenyl)naphthalen-1-yl]oxyphenoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[4-[6-hydroxy-2-(4-methylsulfonylphenyl)naphthalen-1-yl]oxyphenoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione has a molecular weight of 881.96 g/mol, XLogP of 4.91, 22 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[2-[4-[6-hydroxy-2-(4-methylsulfonylphenyl)naphthalen-1-yl]oxyphenoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione is sourced from PubChem (CID 171446715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).