N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[4-[2-[2-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]phenyl]sulfonyl-2-hydroxy-2-methylpropanamide

C40H43F3N6O11S — CID 166938179

About N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[4-[2-[2-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]phenyl]sulfonyl-2-hydroxy-2-methylpropanamide

N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[4-[2-[2-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]phenyl]sulfonyl-2-hydroxy-2-methylpropanamide (PubChem CID 166938179) has the molecular formula C40H43F3N6O11S and a molecular weight of 872.88 g/mol. Its IUPAC name is N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[4-[2-[2-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]phenyl]sulfonyl-2-hydroxy-2-methylpropanamide.

Molecular Properties

• Compound Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[4-[2-[2-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]phenyl]sulfonyl-2-hydroxy-2-methylpropanamide
• PubChem CID: 166938179
• Molecular Formula: C40H43F3N6O11S
• Molecular Weight: 872.88 g/mol
• Exact Mass: 872.27
• IUPAC Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[4-[2-[2-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]phenyl]sulfonyl-2-hydroxy-2-methylpropanamide
• SMILES: CC(O)(CS(=O)(=O)c1ccc(NCCOCCOCCOCCC(=O)Nc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1
• InChI: InChI=1S/C40H43F3N6O11S/c1-39(55,38(54)46-27-6-5-25(22-44)31(21-27)40(41,42)43)24-61(56,57)28-9-7-26(8-10-28)45-14-16-59-18-20-60-19-17-58-15-13-35(51)47-32-4-2-3-29-30(32)23-49(37(29)53)33-11-12-34(50)48-36(33)52/h2-10,21,33,45,55H,11-20,23-24H2,1H3,(H,46,54)(H,47,51)(H,48,50,52)
• InChIKey: SOTDNVWUDYBINQ-UHFFFAOYSA-N
• XLogP: 2.99
• TPSA: 242.56 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 20
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	872.88
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

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 N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[4-[2-[2-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]phenyl]sulfonyl-2-hydroxy-2-methylpropanamide?

The IUPAC name of N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[4-[2-[2-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]phenyl]sulfonyl-2-hydroxy-2-methylpropanamide (CID 166938179) is N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[4-[2-[2-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]phenyl]sulfonyl-2-hydroxy-2-methylpropanamide.

What is the SMILES notation for N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[4-[2-[2-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]phenyl]sulfonyl-2-hydroxy-2-methylpropanamide?

The canonical SMILES for N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[4-[2-[2-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]phenyl]sulfonyl-2-hydroxy-2-methylpropanamide is CC(O)(CS(=O)(=O)c1ccc(NCCOCCOCCOCCC(=O)Nc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1.

What is the InChIKey of N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[4-[2-[2-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]phenyl]sulfonyl-2-hydroxy-2-methylpropanamide?

The InChIKey is SOTDNVWUDYBINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H43F3N6O11S/c1-39(55,38(54)46-27-6-5-25(22-44)31(21-27)40(41,42)43)24-61(56,57)28-9-7-26(8-10-28)45-14-16-59-18-20-60-19-17-58-15-13-35(51)47-32-4-2-3-29-30(32)23-49(37(29)53)33-11-12-34(50)48-36(33)52/h2-10,21,33,45,55H,11-20,23-24H2,1H3,(H,46,54)(H,47,51)(H,48,50,52).

What are the key properties of N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[4-[2-[2-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]phenyl]sulfonyl-2-hydroxy-2-methylpropanamide?

N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[4-[2-[2-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]phenyl]sulfonyl-2-hydroxy-2-methylpropanamide has a molecular weight of 872.88 g/mol, XLogP of 2.99, 20 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[4-[2-[2-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]phenyl]sulfonyl-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 166938179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).