2-[(2R)-4-[2-[4-[(2R)-3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylimidazolidin-1-yl]cyclohexyl]oxyethyl]-2-(trifluoromethyl)piperazin-1-yl]-N-[6-(2,6-dioxopiperidin-3-yl)-3-pyridinyl]acetamide

C38H44F6N8O5S — CID 171475284

About 2-[(2R)-4-[2-[4-[(2R)-3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylimidazolidin-1-yl]cyclohexyl]oxyethyl]-2-(trifluoromethyl)piperazin-1-yl]-N-[6-(2,6-dioxopiperidin-3-yl)-3-pyridinyl]acetamide

2-[(2R)-4-[2-[4-[(2R)-3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylimidazolidin-1-yl]cyclohexyl]oxyethyl]-2-(trifluoromethyl)piperazin-1-yl]-N-[6-(2,6-dioxopiperidin-3-yl)-3-pyridinyl]acetamide (PubChem CID 171475284) has the molecular formula C38H44F6N8O5S and a molecular weight of 838.88 g/mol. Its IUPAC name is 2-[(2R)-4-[2-[4-[(2R)-3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylimidazolidin-1-yl]cyclohexyl]oxyethyl]-2-(trifluoromethyl)piperazin-1-yl]-N-[6-(2,6-dioxopiperidin-3-yl)-3-pyridinyl]acetamide.

Molecular Properties

• Compound Name: 2-[(2R)-4-[2-[4-[(2R)-3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylimidazolidin-1-yl]cyclohexyl]oxyethyl]-2-(trifluoromethyl)piperazin-1-yl]-N-[6-(2,6-dioxopiperidin-3-yl)-3-pyridinyl]acetamide
• PubChem CID: 171475284
• Molecular Formula: C38H44F6N8O5S
• Molecular Weight: 838.88 g/mol
• Exact Mass: 838.31
• IUPAC Name: 2-[(2R)-4-[2-[4-[(2R)-3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylimidazolidin-1-yl]cyclohexyl]oxyethyl]-2-(trifluoromethyl)piperazin-1-yl]-N-[6-(2,6-dioxopiperidin-3-yl)-3-pyridinyl]acetamide
• SMILES: CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)[C@H](S)N1C1CCC(OCCN2CCN(CC(=O)Nc3ccc(C4CCC(=O)NC4=O)nc3)[C@@H](C(F)(F)F)C2)CC1
• InChI: InChI=1S/C38H44F6N8O5S/c1-36(2)34(56)51(25-5-3-22(18-45)28(17-25)37(39,40)41)35(58)52(36)24-6-8-26(9-7-24)57-16-15-49-13-14-50(30(20-49)38(42,43)44)21-32(54)47-23-4-11-29(46-19-23)27-10-12-31(53)48-33(27)55/h3-5,11,17,19,24,26-27,30,35,58H,6-10,12-16,20-21H2,1-2H3,(H,47,54)(H,48,53,55)/t24?,26?,27?,30-,35+/m1/s1
• InChIKey: MHUXJYAONONGTO-QAMCKLIFSA-N
• XLogP: 4.65
• TPSA: 151.21 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	838.88
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-[2-[4-[(2R)-3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylimidazolidin-1-yl]cyclohexyl]oxyethyl]-2-(trifluoromethyl)piperazin-1-yl]-N-[6-(2,6-dioxopiperidin-3-yl)-3-pyridinyl]acetamide?

The IUPAC name of 2-[(2R)-4-[2-[4-[(2R)-3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylimidazolidin-1-yl]cyclohexyl]oxyethyl]-2-(trifluoromethyl)piperazin-1-yl]-N-[6-(2,6-dioxopiperidin-3-yl)-3-pyridinyl]acetamide (CID 171475284) is 2-[(2R)-4-[2-[4-[(2R)-3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylimidazolidin-1-yl]cyclohexyl]oxyethyl]-2-(trifluoromethyl)piperazin-1-yl]-N-[6-(2,6-dioxopiperidin-3-yl)-3-pyridinyl]acetamide.

What is the SMILES notation for 2-[(2R)-4-[2-[4-[(2R)-3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylimidazolidin-1-yl]cyclohexyl]oxyethyl]-2-(trifluoromethyl)piperazin-1-yl]-N-[6-(2,6-dioxopiperidin-3-yl)-3-pyridinyl]acetamide?

The canonical SMILES for 2-[(2R)-4-[2-[4-[(2R)-3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylimidazolidin-1-yl]cyclohexyl]oxyethyl]-2-(trifluoromethyl)piperazin-1-yl]-N-[6-(2,6-dioxopiperidin-3-yl)-3-pyridinyl]acetamide is CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)[C@H](S)N1C1CCC(OCCN2CCN(CC(=O)Nc3ccc(C4CCC(=O)NC4=O)nc3)[C@@H](C(F)(F)F)C2)CC1.

What is the InChIKey of 2-[(2R)-4-[2-[4-[(2R)-3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylimidazolidin-1-yl]cyclohexyl]oxyethyl]-2-(trifluoromethyl)piperazin-1-yl]-N-[6-(2,6-dioxopiperidin-3-yl)-3-pyridinyl]acetamide?

The InChIKey is MHUXJYAONONGTO-QAMCKLIFSA-N. The full InChI is InChI=1S/C38H44F6N8O5S/c1-36(2)34(56)51(25-5-3-22(18-45)28(17-25)37(39,40)41)35(58)52(36)24-6-8-26(9-7-24)57-16-15-49-13-14-50(30(20-49)38(42,43)44)21-32(54)47-23-4-11-29(46-19-23)27-10-12-31(53)48-33(27)55/h3-5,11,17,19,24,26-27,30,35,58H,6-10,12-16,20-21H2,1-2H3,(H,47,54)(H,48,53,55)/t24?,26?,27?,30-,35+/m1/s1.

What are the key properties of 2-[(2R)-4-[2-[4-[(2R)-3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylimidazolidin-1-yl]cyclohexyl]oxyethyl]-2-(trifluoromethyl)piperazin-1-yl]-N-[6-(2,6-dioxopiperidin-3-yl)-3-pyridinyl]acetamide?

2-[(2R)-4-[2-[4-[(2R)-3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylimidazolidin-1-yl]cyclohexyl]oxyethyl]-2-(trifluoromethyl)piperazin-1-yl]-N-[6-(2,6-dioxopiperidin-3-yl)-3-pyridinyl]acetamide has a molecular weight of 838.88 g/mol, XLogP of 4.65, 10 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2R)-4-[2-[4-[(2R)-3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylimidazolidin-1-yl]cyclohexyl]oxyethyl]-2-(trifluoromethyl)piperazin-1-yl]-N-[6-(2,6-dioxopiperidin-3-yl)-3-pyridinyl]acetamide is sourced from PubChem (CID 171475284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).