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

C38H42F6N8O6S — CID 170983775

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

2-[(2R)-4-[2-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]sulfanyl-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]cyclohexyl]oxyethyl]-2-(trifluoromethyl)piperazin-1-yl]-N-[6-(2,6-dioxopiperidin-3-yl)-3-pyridinyl]acetamide (PubChem CID 170983775) has the molecular formula C38H42F6N8O6S and a molecular weight of 852.86 g/mol. Its IUPAC name is 2-[(2R)-4-[2-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]sulfanyl-5,5-dimethyl-2,4-dioxoimidazolidin-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-[3-[4-cyano-3-(trifluoromethyl)phenyl]sulfanyl-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]cyclohexyl]oxyethyl]-2-(trifluoromethyl)piperazin-1-yl]-N-[6-(2,6-dioxopiperidin-3-yl)-3-pyridinyl]acetamide
• PubChem CID: 170983775
• Molecular Formula: C38H42F6N8O6S
• Molecular Weight: 852.86 g/mol
• Exact Mass: 852.29
• IUPAC Name: 2-[(2R)-4-[2-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]sulfanyl-5,5-dimethyl-2,4-dioxoimidazolidin-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(Sc2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1C1CCC(OCCN2CCN(CC(=O)Nc3ccc(C4CCC(=O)NC4=O)nc3)[C@@H](C(F)(F)F)C2)CC1
• InChI: InChI=1S/C38H42F6N8O6S/c1-36(2)34(56)52(59-26-9-3-22(18-45)28(17-26)37(39,40)41)35(57)51(36)24-5-7-25(8-6-24)58-16-15-49-13-14-50(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/h3-4,9,11,17,19,24-25,27,30H,5-8,10,12-16,20-21H2,1-2H3,(H,47,54)(H,48,53,55)/t24?,25?,27?,30-/m1/s1
• InChIKey: AODZSQDOFGUTDB-ZJUSUMEDSA-N
• XLogP: 5.06
• TPSA: 168.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	852.86
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-[2-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]sulfanyl-5,5-dimethyl-2,4-dioxoimidazolidin-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-[3-[4-cyano-3-(trifluoromethyl)phenyl]sulfanyl-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]cyclohexyl]oxyethyl]-2-(trifluoromethyl)piperazin-1-yl]-N-[6-(2,6-dioxopiperidin-3-yl)-3-pyridinyl]acetamide (CID 170983775) is 2-[(2R)-4-[2-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]sulfanyl-5,5-dimethyl-2,4-dioxoimidazolidin-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-[3-[4-cyano-3-(trifluoromethyl)phenyl]sulfanyl-5,5-dimethyl-2,4-dioxoimidazolidin-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-[3-[4-cyano-3-(trifluoromethyl)phenyl]sulfanyl-5,5-dimethyl-2,4-dioxoimidazolidin-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(Sc2ccc(C#N)c(C(F)(F)F)c2)C(=O)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-[3-[4-cyano-3-(trifluoromethyl)phenyl]sulfanyl-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]cyclohexyl]oxyethyl]-2-(trifluoromethyl)piperazin-1-yl]-N-[6-(2,6-dioxopiperidin-3-yl)-3-pyridinyl]acetamide?

The InChIKey is AODZSQDOFGUTDB-ZJUSUMEDSA-N. The full InChI is InChI=1S/C38H42F6N8O6S/c1-36(2)34(56)52(59-26-9-3-22(18-45)28(17-26)37(39,40)41)35(57)51(36)24-5-7-25(8-6-24)58-16-15-49-13-14-50(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/h3-4,9,11,17,19,24-25,27,30H,5-8,10,12-16,20-21H2,1-2H3,(H,47,54)(H,48,53,55)/t24?,25?,27?,30-/m1/s1.

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

2-[(2R)-4-[2-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]sulfanyl-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]cyclohexyl]oxyethyl]-2-(trifluoromethyl)piperazin-1-yl]-N-[6-(2,6-dioxopiperidin-3-yl)-3-pyridinyl]acetamide has a molecular weight of 852.86 g/mol, XLogP of 5.06, 11 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2R)-4-[2-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]sulfanyl-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]cyclohexyl]oxyethyl]-2-(trifluoromethyl)piperazin-1-yl]-N-[6-(2,6-dioxopiperidin-3-yl)-3-pyridinyl]acetamide is sourced from PubChem (CID 170983775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).