2-(2-methoxyphenyl)-N-[5-[4-[5-[[2-(2-methoxyphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide

C26H28N6O4S2 — CID 74982534

About 2-(2-methoxyphenyl)-N-[5-[4-[5-[[2-(2-methoxyphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide

2-(2-methoxyphenyl)-N-[5-[4-[5-[[2-(2-methoxyphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 74982534) has the molecular formula C26H28N6O4S2 and a molecular weight of 552.68 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N-[5-[4-[5-[[2-(2-methoxyphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-(2-methoxyphenyl)-N-[5-[4-[5-[[2-(2-methoxyphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide
• PubChem CID: 74982534
• Molecular Formula: C26H28N6O4S2
• Molecular Weight: 552.68 g/mol
• Exact Mass: 552.16
• IUPAC Name: 2-(2-methoxyphenyl)-N-[5-[4-[5-[[2-(2-methoxyphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide
• SMILES: COc1ccccc1CC(=O)Nc1nnc(CCCCc2nnc(NC(=O)Cc3ccccc3OC)s2)s1
• InChI: InChI=1S/C26H28N6O4S2/c1-35-19-11-5-3-9-17(19)15-21(33)27-25-31-29-23(37-25)13-7-8-14-24-30-32-26(38-24)28-22(34)16-18-10-4-6-12-20(18)36-2/h3-6,9-12H,7-8,13-16H2,1-2H3,(H,27,31,33)(H,28,32,34)
• InChIKey: XLPNVIIGDHVMHU-UHFFFAOYSA-N
• XLogP: 4.33
• TPSA: 128.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 13
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	552.68
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-N-[5-[4-[5-[[2-(2-methoxyphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide?

The IUPAC name of 2-(2-methoxyphenyl)-N-[5-[4-[5-[[2-(2-methoxyphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 74982534) is 2-(2-methoxyphenyl)-N-[5-[4-[5-[[2-(2-methoxyphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide.

What is the SMILES notation for 2-(2-methoxyphenyl)-N-[5-[4-[5-[[2-(2-methoxyphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide?

The canonical SMILES for 2-(2-methoxyphenyl)-N-[5-[4-[5-[[2-(2-methoxyphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide is COc1ccccc1CC(=O)Nc1nnc(CCCCc2nnc(NC(=O)Cc3ccccc3OC)s2)s1.

What is the InChIKey of 2-(2-methoxyphenyl)-N-[5-[4-[5-[[2-(2-methoxyphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide?

The InChIKey is XLPNVIIGDHVMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O4S2/c1-35-19-11-5-3-9-17(19)15-21(33)27-25-31-29-23(37-25)13-7-8-14-24-30-32-26(38-24)28-22(34)16-18-10-4-6-12-20(18)36-2/h3-6,9-12H,7-8,13-16H2,1-2H3,(H,27,31,33)(H,28,32,34).

What are the key properties of 2-(2-methoxyphenyl)-N-[5-[4-[5-[[2-(2-methoxyphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide?

2-(2-methoxyphenyl)-N-[5-[4-[5-[[2-(2-methoxyphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 552.68 g/mol, XLogP of 4.33, 13 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-methoxyphenyl)-N-[5-[4-[5-[[2-(2-methoxyphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 74982534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).