2-[(2S,6R)-4-[2-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]cyclohexyl]oxyethoxy]-2,6-dimethylpiperidin-1-yl]-N-[4-(2,6-dioxopiperidin-3-yl)phenyl]acetamide

C41H49F3N6O6S — CID 167274363

About 2-[(2S,6R)-4-[2-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]cyclohexyl]oxyethoxy]-2,6-dimethylpiperidin-1-yl]-N-[4-(2,6-dioxopiperidin-3-yl)phenyl]acetamide

2-[(2S,6R)-4-[2-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]cyclohexyl]oxyethoxy]-2,6-dimethylpiperidin-1-yl]-N-[4-(2,6-dioxopiperidin-3-yl)phenyl]acetamide (PubChem CID 167274363) has the molecular formula C41H49F3N6O6S and a molecular weight of 810.94 g/mol. Its IUPAC name is 2-[(2S,6R)-4-[2-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]cyclohexyl]oxyethoxy]-2,6-dimethylpiperidin-1-yl]-N-[4-(2,6-dioxopiperidin-3-yl)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-[(2S,6R)-4-[2-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]cyclohexyl]oxyethoxy]-2,6-dimethylpiperidin-1-yl]-N-[4-(2,6-dioxopiperidin-3-yl)phenyl]acetamide
• PubChem CID: 167274363
• Molecular Formula: C41H49F3N6O6S
• Molecular Weight: 810.94 g/mol
• Exact Mass: 810.34
• IUPAC Name: 2-[(2S,6R)-4-[2-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]cyclohexyl]oxyethoxy]-2,6-dimethylpiperidin-1-yl]-N-[4-(2,6-dioxopiperidin-3-yl)phenyl]acetamide
• SMILES: C[C@@H]1CC(OCCOC2CCC(N3C(=S)N(c4ccc(C#N)c(C(F)(F)F)c4)C(=O)C3(C)C)CC2)C[C@H](C)N1CC(=O)Nc1ccc(C2CCC(=O)NC2=O)cc1
• InChI: InChI=1S/C41H49F3N6O6S/c1-24-19-32(20-25(2)48(24)23-36(52)46-28-8-5-26(6-9-28)33-15-16-35(51)47-37(33)53)56-18-17-55-31-13-11-29(12-14-31)50-39(57)49(38(54)40(50,3)4)30-10-7-27(22-45)34(21-30)41(42,43)44/h5-10,21,24-25,29,31-33H,11-20,23H2,1-4H3,(H,46,52)(H,47,51,53)/t24-,25+,29?,31?,32?,33?
• InChIKey: CZHVCARBFZVBCE-AETUJGQESA-N
• XLogP: 6.03
• TPSA: 144.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	810.94
LogP ≤ 5	6.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

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 2-[(2S,6R)-4-[2-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]cyclohexyl]oxyethoxy]-2,6-dimethylpiperidin-1-yl]-N-[4-(2,6-dioxopiperidin-3-yl)phenyl]acetamide?

The IUPAC name of 2-[(2S,6R)-4-[2-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]cyclohexyl]oxyethoxy]-2,6-dimethylpiperidin-1-yl]-N-[4-(2,6-dioxopiperidin-3-yl)phenyl]acetamide (CID 167274363) is 2-[(2S,6R)-4-[2-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]cyclohexyl]oxyethoxy]-2,6-dimethylpiperidin-1-yl]-N-[4-(2,6-dioxopiperidin-3-yl)phenyl]acetamide.

What is the SMILES notation for 2-[(2S,6R)-4-[2-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]cyclohexyl]oxyethoxy]-2,6-dimethylpiperidin-1-yl]-N-[4-(2,6-dioxopiperidin-3-yl)phenyl]acetamide?

The canonical SMILES for 2-[(2S,6R)-4-[2-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]cyclohexyl]oxyethoxy]-2,6-dimethylpiperidin-1-yl]-N-[4-(2,6-dioxopiperidin-3-yl)phenyl]acetamide is C[C@@H]1CC(OCCOC2CCC(N3C(=S)N(c4ccc(C#N)c(C(F)(F)F)c4)C(=O)C3(C)C)CC2)C[C@H](C)N1CC(=O)Nc1ccc(C2CCC(=O)NC2=O)cc1.

What is the InChIKey of 2-[(2S,6R)-4-[2-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]cyclohexyl]oxyethoxy]-2,6-dimethylpiperidin-1-yl]-N-[4-(2,6-dioxopiperidin-3-yl)phenyl]acetamide?

The InChIKey is CZHVCARBFZVBCE-AETUJGQESA-N. The full InChI is InChI=1S/C41H49F3N6O6S/c1-24-19-32(20-25(2)48(24)23-36(52)46-28-8-5-26(6-9-28)33-15-16-35(51)47-37(33)53)56-18-17-55-31-13-11-29(12-14-31)50-39(57)49(38(54)40(50,3)4)30-10-7-27(22-45)34(21-30)41(42,43)44/h5-10,21,24-25,29,31-33H,11-20,23H2,1-4H3,(H,46,52)(H,47,51,53)/t24-,25+,29?,31?,32?,33?.

What are the key properties of 2-[(2S,6R)-4-[2-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]cyclohexyl]oxyethoxy]-2,6-dimethylpiperidin-1-yl]-N-[4-(2,6-dioxopiperidin-3-yl)phenyl]acetamide?

2-[(2S,6R)-4-[2-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]cyclohexyl]oxyethoxy]-2,6-dimethylpiperidin-1-yl]-N-[4-(2,6-dioxopiperidin-3-yl)phenyl]acetamide has a molecular weight of 810.94 g/mol, XLogP of 6.03, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2S,6R)-4-[2-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]cyclohexyl]oxyethoxy]-2,6-dimethylpiperidin-1-yl]-N-[4-(2,6-dioxopiperidin-3-yl)phenyl]acetamide is sourced from PubChem (CID 167274363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).