N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-[4-[2-[4-[2-[[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethoxy]phenyl]ethyl]phenoxy]acetamide

C36H34N4O8S2 — CID 11571232

About N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-[4-[2-[4-[2-[[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethoxy]phenyl]ethyl]phenoxy]acetamide

N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-[4-[2-[4-[2-[[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethoxy]phenyl]ethyl]phenoxy]acetamide (PubChem CID 11571232) has the molecular formula C36H34N4O8S2 and a molecular weight of 714.82 g/mol. Its IUPAC name is N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-[4-[2-[4-[2-[[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethoxy]phenyl]ethyl]phenoxy]acetamide.

Molecular Properties

• Compound Name: N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-[4-[2-[4-[2-[[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethoxy]phenyl]ethyl]phenoxy]acetamide
• PubChem CID: 11571232
• Molecular Formula: C36H34N4O8S2
• Molecular Weight: 714.82 g/mol
• Exact Mass: 714.18
• IUPAC Name: N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-[4-[2-[4-[2-[[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethoxy]phenyl]ethyl]phenoxy]acetamide
• SMILES: O=C(COc1ccc(CCc2ccc(OCC(=O)NN3C(=O)CSC3c3ccccc3O)cc2)cc1)NN1C(=O)CSC1c1ccccc1O
• InChI: InChI=1S/C36H34N4O8S2/c41-29-7-3-1-5-27(29)35-39(33(45)21-49-35)37-31(43)19-47-25-15-11-23(12-16-25)9-10-24-13-17-26(18-14-24)48-20-32(44)38-40-34(46)22-50-36(40)28-6-2-4-8-30(28)42/h1-8,11-18,35-36,41-42H,9-10,19-22H2,(H,37,43)(H,38,44)
• InChIKey: AYGKLKJRDOCRDL-UHFFFAOYSA-N
• XLogP: 4.25
• TPSA: 157.74 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 13
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	714.82
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-[4-[2-[4-[2-[[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethoxy]phenyl]ethyl]phenoxy]acetamide?

The IUPAC name of N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-[4-[2-[4-[2-[[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethoxy]phenyl]ethyl]phenoxy]acetamide (CID 11571232) is N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-[4-[2-[4-[2-[[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethoxy]phenyl]ethyl]phenoxy]acetamide.

What is the SMILES notation for N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-[4-[2-[4-[2-[[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethoxy]phenyl]ethyl]phenoxy]acetamide?

The canonical SMILES for N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-[4-[2-[4-[2-[[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethoxy]phenyl]ethyl]phenoxy]acetamide is O=C(COc1ccc(CCc2ccc(OCC(=O)NN3C(=O)CSC3c3ccccc3O)cc2)cc1)NN1C(=O)CSC1c1ccccc1O.

What is the InChIKey of N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-[4-[2-[4-[2-[[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethoxy]phenyl]ethyl]phenoxy]acetamide?

The InChIKey is AYGKLKJRDOCRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34N4O8S2/c41-29-7-3-1-5-27(29)35-39(33(45)21-49-35)37-31(43)19-47-25-15-11-23(12-16-25)9-10-24-13-17-26(18-14-24)48-20-32(44)38-40-34(46)22-50-36(40)28-6-2-4-8-30(28)42/h1-8,11-18,35-36,41-42H,9-10,19-22H2,(H,37,43)(H,38,44).

What are the key properties of N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-[4-[2-[4-[2-[[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethoxy]phenyl]ethyl]phenoxy]acetamide?

N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-[4-[2-[4-[2-[[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethoxy]phenyl]ethyl]phenoxy]acetamide has a molecular weight of 714.82 g/mol, XLogP of 4.25, 13 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-[4-[2-[4-[2-[[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethoxy]phenyl]ethyl]phenoxy]acetamide is sourced from PubChem (CID 11571232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).