4-[2-[4-(5,5-dimethyl-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl)phenoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C32H29N5O6S — CID 140861110

About 4-[2-[4-(5,5-dimethyl-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl)phenoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

4-[2-[4-(5,5-dimethyl-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl)phenoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 140861110) has the molecular formula C32H29N5O6S and a molecular weight of 611.68 g/mol. Its IUPAC name is 4-[2-[4-(5,5-dimethyl-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl)phenoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

• Compound Name: 4-[2-[4-(5,5-dimethyl-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl)phenoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• PubChem CID: 140861110
• Molecular Formula: C32H29N5O6S
• Molecular Weight: 611.68 g/mol
• Exact Mass: 611.18
• IUPAC Name: 4-[2-[4-(5,5-dimethyl-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl)phenoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• SMILES: CC1(C)C(=O)N(c2ccccc2)C(=S)N1c1ccc(OCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cc1
• InChI: InChI=1S/C32H29N5O6S/c1-32(2)30(42)35(19-7-4-3-5-8-19)31(44)37(32)20-11-13-21(14-12-20)43-18-17-33-23-10-6-9-22-26(23)29(41)36(28(22)40)24-15-16-25(38)34-27(24)39/h3-14,24,33H,15-18H2,1-2H3,(H,34,38,39)
• InChIKey: JZKJOFLKIWZQGO-UHFFFAOYSA-N
• XLogP: 3.50
• TPSA: 128.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	611.68
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(5,5-dimethyl-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl)phenoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The IUPAC name of 4-[2-[4-(5,5-dimethyl-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl)phenoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 140861110) is 4-[2-[4-(5,5-dimethyl-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl)phenoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

What is the SMILES notation for 4-[2-[4-(5,5-dimethyl-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl)phenoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The canonical SMILES for 4-[2-[4-(5,5-dimethyl-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl)phenoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is CC1(C)C(=O)N(c2ccccc2)C(=S)N1c1ccc(OCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cc1.

What is the InChIKey of 4-[2-[4-(5,5-dimethyl-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl)phenoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The InChIKey is JZKJOFLKIWZQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N5O6S/c1-32(2)30(42)35(19-7-4-3-5-8-19)31(44)37(32)20-11-13-21(14-12-20)43-18-17-33-23-10-6-9-22-26(23)29(41)36(28(22)40)24-15-16-25(38)34-27(24)39/h3-14,24,33H,15-18H2,1-2H3,(H,34,38,39).

What are the key properties of 4-[2-[4-(5,5-dimethyl-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl)phenoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

4-[2-[4-(5,5-dimethyl-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl)phenoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 611.68 g/mol, XLogP of 3.50, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[4-(5,5-dimethyl-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl)phenoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 140861110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).