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

C50H55N5O11S — CID 171058166

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

2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[2-[2-[ethyl-[2-[4-[6-hydroxy-2-(4-methylsulfonylphenyl)naphthalen-1-yl]oxyphenoxy]ethyl]amino]ethoxy]ethoxy]ethyl]piperazin-1-yl]isoindole-1,3-dione (PubChem CID 171058166) has the molecular formula C50H55N5O11S and a molecular weight of 934.08 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[2-[2-[ethyl-[2-[4-[6-hydroxy-2-(4-methylsulfonylphenyl)naphthalen-1-yl]oxyphenoxy]ethyl]amino]ethoxy]ethoxy]ethyl]piperazin-1-yl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[2-[2-[ethyl-[2-[4-[6-hydroxy-2-(4-methylsulfonylphenyl)naphthalen-1-yl]oxyphenoxy]ethyl]amino]ethoxy]ethoxy]ethyl]piperazin-1-yl]isoindole-1,3-dione
• PubChem CID: 171058166
• Molecular Formula: C50H55N5O11S
• Molecular Weight: 934.08 g/mol
• Exact Mass: 933.36
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[2-[2-[ethyl-[2-[4-[6-hydroxy-2-(4-methylsulfonylphenyl)naphthalen-1-yl]oxyphenoxy]ethyl]amino]ethoxy]ethoxy]ethyl]piperazin-1-yl]isoindole-1,3-dione
• SMILES: CCN(CCOCCOCCN1CCN(c2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1)CCOc1ccc(Oc2c(-c3ccc(S(C)(=O)=O)cc3)ccc3cc(O)ccc23)cc1
• InChI: InChI=1S/C50H55N5O11S/c1-3-52(26-29-65-38-9-11-39(12-10-38)66-47-41(15-6-35-32-37(56)8-17-42(35)47)34-4-13-40(14-5-34)67(2,61)62)24-27-63-30-31-64-28-25-53-20-22-54(23-21-53)36-7-16-43-44(33-36)50(60)55(49(43)59)45-18-19-46(57)51-48(45)58/h4-17,32-33,45,56H,3,18-31H2,1-2H3,(H,51,57,58)
• InChIKey: HYCJDZAOAWIYSM-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 184.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 20
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	934.08
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	2
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-[4-[2-[2-[2-[ethyl-[2-[4-[6-hydroxy-2-(4-methylsulfonylphenyl)naphthalen-1-yl]oxyphenoxy]ethyl]amino]ethoxy]ethoxy]ethyl]piperazin-1-yl]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[2-[2-[ethyl-[2-[4-[6-hydroxy-2-(4-methylsulfonylphenyl)naphthalen-1-yl]oxyphenoxy]ethyl]amino]ethoxy]ethoxy]ethyl]piperazin-1-yl]isoindole-1,3-dione (CID 171058166) is 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[2-[2-[ethyl-[2-[4-[6-hydroxy-2-(4-methylsulfonylphenyl)naphthalen-1-yl]oxyphenoxy]ethyl]amino]ethoxy]ethoxy]ethyl]piperazin-1-yl]isoindole-1,3-dione.

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

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[2-[2-[ethyl-[2-[4-[6-hydroxy-2-(4-methylsulfonylphenyl)naphthalen-1-yl]oxyphenoxy]ethyl]amino]ethoxy]ethoxy]ethyl]piperazin-1-yl]isoindole-1,3-dione is CCN(CCOCCOCCN1CCN(c2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1)CCOc1ccc(Oc2c(-c3ccc(S(C)(=O)=O)cc3)ccc3cc(O)ccc23)cc1.

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

The InChIKey is HYCJDZAOAWIYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H55N5O11S/c1-3-52(26-29-65-38-9-11-39(12-10-38)66-47-41(15-6-35-32-37(56)8-17-42(35)47)34-4-13-40(14-5-34)67(2,61)62)24-27-63-30-31-64-28-25-53-20-22-54(23-21-53)36-7-16-43-44(33-36)50(60)55(49(43)59)45-18-19-46(57)51-48(45)58/h4-17,32-33,45,56H,3,18-31H2,1-2H3,(H,51,57,58).

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

2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[2-[2-[ethyl-[2-[4-[6-hydroxy-2-(4-methylsulfonylphenyl)naphthalen-1-yl]oxyphenoxy]ethyl]amino]ethoxy]ethoxy]ethyl]piperazin-1-yl]isoindole-1,3-dione has a molecular weight of 934.08 g/mol, XLogP of 5.37, 20 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[2-[2-[ethyl-[2-[4-[6-hydroxy-2-(4-methylsulfonylphenyl)naphthalen-1-yl]oxyphenoxy]ethyl]amino]ethoxy]ethoxy]ethyl]piperazin-1-yl]isoindole-1,3-dione is sourced from PubChem (CID 171058166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).