4-[[2,5-dichloro-4-[[(4S)-4-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-1,3-thiazolidin-3-yl]methyl]phenoxy]methyl]-N-[2-[2-[2-[2-[[4-[[2,5-dichloro-4-[[(4R)-4-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-1,3-thiazolidin-3-yl]methyl]phenoxy]methyl]benzoyl]amino]ethoxy]ethoxy]ethoxy]ethyl]benzamide

C68H74Cl4N8O9S2 — CID 118103664

About 4-[[2,5-dichloro-4-[[(4S)-4-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-1,3-thiazolidin-3-yl]methyl]phenoxy]methyl]-N-[2-[2-[2-[2-[[4-[[2,5-dichloro-4-[[(4R)-4-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-1,3-thiazolidin-3-yl]methyl]phenoxy]methyl]benzoyl]amino]ethoxy]ethoxy]ethoxy]ethyl]benzamide

4-[[2,5-dichloro-4-[[(4S)-4-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-1,3-thiazolidin-3-yl]methyl]phenoxy]methyl]-N-[2-[2-[2-[2-[[4-[[2,5-dichloro-4-[[(4R)-4-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-1,3-thiazolidin-3-yl]methyl]phenoxy]methyl]benzoyl]amino]ethoxy]ethoxy]ethoxy]ethyl]benzamide (PubChem CID 118103664) has the molecular formula C68H74Cl4N8O9S2 and a molecular weight of 1353.33 g/mol. Its IUPAC name is 4-[[2,5-dichloro-4-[[(4S)-4-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-1,3-thiazolidin-3-yl]methyl]phenoxy]methyl]-N-[2-[2-[2-[2-[[4-[[2,5-dichloro-4-[[(4R)-4-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-1,3-thiazolidin-3-yl]methyl]phenoxy]methyl]benzoyl]amino]ethoxy]ethoxy]ethoxy]ethyl]benzamide.

Molecular Properties

• Compound Name: 4-[[2,5-dichloro-4-[[(4S)-4-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-1,3-thiazolidin-3-yl]methyl]phenoxy]methyl]-N-[2-[2-[2-[2-[[4-[[2,5-dichloro-4-[[(4R)-4-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-1,3-thiazolidin-3-yl]methyl]phenoxy]methyl]benzoyl]amino]ethoxy]ethoxy]ethoxy]ethyl]benzamide
• PubChem CID: 118103664
• Molecular Formula: C68H74Cl4N8O9S2
• Molecular Weight: 1353.33 g/mol
• Exact Mass: 1350.38
• IUPAC Name: 4-[[2,5-dichloro-4-[[(4S)-4-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-1,3-thiazolidin-3-yl]methyl]phenoxy]methyl]-N-[2-[2-[2-[2-[[4-[[2,5-dichloro-4-[[(4R)-4-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-1,3-thiazolidin-3-yl]methyl]phenoxy]methyl]benzoyl]amino]ethoxy]ethoxy]ethoxy]ethyl]benzamide
• SMILES: O=C(NCCOCCOCCOCCNC(=O)c1ccc(COc2cc(Cl)c(CN3CSC[C@H]3C(=O)N3CCN(C4CC4)c4ccccc43)cc2Cl)cc1)c1ccc(COc2cc(Cl)c(CN3CSC[C@@H]3C(=O)N3CCN(C4CC4)c4ccccc43)cc2Cl)cc1
• InChI: InChI=1S/C68H74Cl4N8O9S2/c69-53-35-63(55(71)33-49(53)37-75-43-90-41-61(75)67(83)79-25-23-77(51-17-18-51)57-5-1-3-7-59(57)79)88-39-45-9-13-47(14-10-45)65(81)73-21-27-85-29-31-87-32-30-86-28-22-74-66(82)48-15-11-46(12-16-48)40-89-64-36-54(70)50(34-56(64)72)38-76-44-91-42-62(76)68(84)80-26-24-78(52-19-20-52)58-6-2-4-8-60(58)80/h1-16,33-36,51-52,61-62H,17-32,37-44H2,(H,73,81)(H,74,82)/t61-,62+
• InChIKey: JHHPQPGUNCQNDF-CKQRJNAWSA-N
• XLogP: 11.45
• TPSA: 157.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 28
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1353.33
LogP ≤ 5	11.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[[2,5-dichloro-4-[[(4S)-4-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-1,3-thiazolidin-3-yl]methyl]phenoxy]methyl]-N-[2-[2-[2-[2-[[4-[[2,5-dichloro-4-[[(4R)-4-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-1,3-thiazolidin-3-yl]methyl]phenoxy]methyl]benzoyl]amino]ethoxy]ethoxy]ethoxy]ethyl]benzamide?

The IUPAC name of 4-[[2,5-dichloro-4-[[(4S)-4-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-1,3-thiazolidin-3-yl]methyl]phenoxy]methyl]-N-[2-[2-[2-[2-[[4-[[2,5-dichloro-4-[[(4R)-4-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-1,3-thiazolidin-3-yl]methyl]phenoxy]methyl]benzoyl]amino]ethoxy]ethoxy]ethoxy]ethyl]benzamide (CID 118103664) is 4-[[2,5-dichloro-4-[[(4S)-4-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-1,3-thiazolidin-3-yl]methyl]phenoxy]methyl]-N-[2-[2-[2-[2-[[4-[[2,5-dichloro-4-[[(4R)-4-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-1,3-thiazolidin-3-yl]methyl]phenoxy]methyl]benzoyl]amino]ethoxy]ethoxy]ethoxy]ethyl]benzamide.

What is the SMILES notation for 4-[[2,5-dichloro-4-[[(4S)-4-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-1,3-thiazolidin-3-yl]methyl]phenoxy]methyl]-N-[2-[2-[2-[2-[[4-[[2,5-dichloro-4-[[(4R)-4-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-1,3-thiazolidin-3-yl]methyl]phenoxy]methyl]benzoyl]amino]ethoxy]ethoxy]ethoxy]ethyl]benzamide?

The canonical SMILES for 4-[[2,5-dichloro-4-[[(4S)-4-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-1,3-thiazolidin-3-yl]methyl]phenoxy]methyl]-N-[2-[2-[2-[2-[[4-[[2,5-dichloro-4-[[(4R)-4-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-1,3-thiazolidin-3-yl]methyl]phenoxy]methyl]benzoyl]amino]ethoxy]ethoxy]ethoxy]ethyl]benzamide is O=C(NCCOCCOCCOCCNC(=O)c1ccc(COc2cc(Cl)c(CN3CSC[C@H]3C(=O)N3CCN(C4CC4)c4ccccc43)cc2Cl)cc1)c1ccc(COc2cc(Cl)c(CN3CSC[C@@H]3C(=O)N3CCN(C4CC4)c4ccccc43)cc2Cl)cc1.

What is the InChIKey of 4-[[2,5-dichloro-4-[[(4S)-4-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-1,3-thiazolidin-3-yl]methyl]phenoxy]methyl]-N-[2-[2-[2-[2-[[4-[[2,5-dichloro-4-[[(4R)-4-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-1,3-thiazolidin-3-yl]methyl]phenoxy]methyl]benzoyl]amino]ethoxy]ethoxy]ethoxy]ethyl]benzamide?

The InChIKey is JHHPQPGUNCQNDF-CKQRJNAWSA-N. The full InChI is InChI=1S/C68H74Cl4N8O9S2/c69-53-35-63(55(71)33-49(53)37-75-43-90-41-61(75)67(83)79-25-23-77(51-17-18-51)57-5-1-3-7-59(57)79)88-39-45-9-13-47(14-10-45)65(81)73-21-27-85-29-31-87-32-30-86-28-22-74-66(82)48-15-11-46(12-16-48)40-89-64-36-54(70)50(34-56(64)72)38-76-44-91-42-62(76)68(84)80-26-24-78(52-19-20-52)58-6-2-4-8-60(58)80/h1-16,33-36,51-52,61-62H,17-32,37-44H2,(H,73,81)(H,74,82)/t61-,62+.

What are the key properties of 4-[[2,5-dichloro-4-[[(4S)-4-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-1,3-thiazolidin-3-yl]methyl]phenoxy]methyl]-N-[2-[2-[2-[2-[[4-[[2,5-dichloro-4-[[(4R)-4-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-1,3-thiazolidin-3-yl]methyl]phenoxy]methyl]benzoyl]amino]ethoxy]ethoxy]ethoxy]ethyl]benzamide?

4-[[2,5-dichloro-4-[[(4S)-4-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-1,3-thiazolidin-3-yl]methyl]phenoxy]methyl]-N-[2-[2-[2-[2-[[4-[[2,5-dichloro-4-[[(4R)-4-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-1,3-thiazolidin-3-yl]methyl]phenoxy]methyl]benzoyl]amino]ethoxy]ethoxy]ethoxy]ethyl]benzamide has a molecular weight of 1353.33 g/mol, XLogP of 11.45, 28 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[2,5-dichloro-4-[[(4S)-4-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-1,3-thiazolidin-3-yl]methyl]phenoxy]methyl]-N-[2-[2-[2-[2-[[4-[[2,5-dichloro-4-[[(4R)-4-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-1,3-thiazolidin-3-yl]methyl]phenoxy]methyl]benzoyl]amino]ethoxy]ethoxy]ethoxy]ethyl]benzamide is sourced from PubChem (CID 118103664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).