N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[3-[2-(4-phenylmethoxyphenyl)acetyl]-1,3-thiazolidin-4-yl]acetamide

C26H35N3O5S — CID 139965376

About N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[3-[2-(4-phenylmethoxyphenyl)acetyl]-1,3-thiazolidin-4-yl]acetamide

N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[3-[2-(4-phenylmethoxyphenyl)acetyl]-1,3-thiazolidin-4-yl]acetamide (PubChem CID 139965376) has the molecular formula C26H35N3O5S and a molecular weight of 501.65 g/mol. Its IUPAC name is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[3-[2-(4-phenylmethoxyphenyl)acetyl]-1,3-thiazolidin-4-yl]acetamide.

Molecular Properties

• Compound Name: N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[3-[2-(4-phenylmethoxyphenyl)acetyl]-1,3-thiazolidin-4-yl]acetamide
• PubChem CID: 139965376
• Molecular Formula: C26H35N3O5S
• Molecular Weight: 501.65 g/mol
• Exact Mass: 501.23
• IUPAC Name: N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[3-[2-(4-phenylmethoxyphenyl)acetyl]-1,3-thiazolidin-4-yl]acetamide
• SMILES: NCCOCCOCCNC(=O)CC1CSCN1C(=O)Cc1ccc(OCc2ccccc2)cc1
• InChI: InChI=1S/C26H35N3O5S/c27-10-12-32-14-15-33-13-11-28-25(30)17-23-19-35-20-29(23)26(31)16-21-6-8-24(9-7-21)34-18-22-4-2-1-3-5-22/h1-9,23H,10-20,27H2,(H,28,30)
• InChIKey: NCXNUBBVGRCOJM-UHFFFAOYSA-N
• XLogP: 2.21
• TPSA: 103.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 15
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.65
LogP ≤ 5	2.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[3-[2-(4-phenylmethoxyphenyl)acetyl]-1,3-thiazolidin-4-yl]acetamide?

The IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[3-[2-(4-phenylmethoxyphenyl)acetyl]-1,3-thiazolidin-4-yl]acetamide (CID 139965376) is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[3-[2-(4-phenylmethoxyphenyl)acetyl]-1,3-thiazolidin-4-yl]acetamide.

What is the SMILES notation for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[3-[2-(4-phenylmethoxyphenyl)acetyl]-1,3-thiazolidin-4-yl]acetamide?

The canonical SMILES for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[3-[2-(4-phenylmethoxyphenyl)acetyl]-1,3-thiazolidin-4-yl]acetamide is NCCOCCOCCNC(=O)CC1CSCN1C(=O)Cc1ccc(OCc2ccccc2)cc1.

What is the InChIKey of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[3-[2-(4-phenylmethoxyphenyl)acetyl]-1,3-thiazolidin-4-yl]acetamide?

The InChIKey is NCXNUBBVGRCOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O5S/c27-10-12-32-14-15-33-13-11-28-25(30)17-23-19-35-20-29(23)26(31)16-21-6-8-24(9-7-21)34-18-22-4-2-1-3-5-22/h1-9,23H,10-20,27H2,(H,28,30).

What are the key properties of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[3-[2-(4-phenylmethoxyphenyl)acetyl]-1,3-thiazolidin-4-yl]acetamide?

N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[3-[2-(4-phenylmethoxyphenyl)acetyl]-1,3-thiazolidin-4-yl]acetamide has a molecular weight of 501.65 g/mol, XLogP of 2.21, 15 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[3-[2-(4-phenylmethoxyphenyl)acetyl]-1,3-thiazolidin-4-yl]acetamide is sourced from PubChem (CID 139965376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).