2-(1-methylindol-3-yl)-N-[5-[2-[2-[5-[[2-(1-methylindol-3-yl)acetyl]amino]-1,3,4-selenadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-selenadiazol-2-yl]acetamide

C30H30N8O2SSe2 — CID 155537033

About 2-(1-methylindol-3-yl)-N-[5-[2-[2-[5-[[2-(1-methylindol-3-yl)acetyl]amino]-1,3,4-selenadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-selenadiazol-2-yl]acetamide

2-(1-methylindol-3-yl)-N-[5-[2-[2-[5-[[2-(1-methylindol-3-yl)acetyl]amino]-1,3,4-selenadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-selenadiazol-2-yl]acetamide (PubChem CID 155537033) has the molecular formula C30H30N8O2SSe2 and a molecular weight of 724.61 g/mol. Its IUPAC name is 2-(1-methylindol-3-yl)-N-[5-[2-[2-[5-[[2-(1-methylindol-3-yl)acetyl]amino]-1,3,4-selenadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-selenadiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-(1-methylindol-3-yl)-N-[5-[2-[2-[5-[[2-(1-methylindol-3-yl)acetyl]amino]-1,3,4-selenadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-selenadiazol-2-yl]acetamide
• PubChem CID: 155537033
• Molecular Formula: C30H30N8O2SSe2
• Molecular Weight: 724.61 g/mol
• Exact Mass: 726.05
• IUPAC Name: 2-(1-methylindol-3-yl)-N-[5-[2-[2-[5-[[2-(1-methylindol-3-yl)acetyl]amino]-1,3,4-selenadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-selenadiazol-2-yl]acetamide
• SMILES: Cn1cc(CC(=O)Nc2nnc(CCSCCc3nnc(NC(=O)Cc4cn(C)c5ccccc45)[se]3)[se]2)c2ccccc21
• InChI: InChI=1S/C30H30N8O2SSe2/c1-37-17-19(21-7-3-5-9-23(21)37)15-25(39)31-29-35-33-27(42-29)11-13-41-14-12-28-34-36-30(43-28)32-26(40)16-20-18-38(2)24-10-6-4-8-22(20)24/h3-10,17-18H,11-16H2,1-2H3,(H,31,35,39)(H,32,36,40)
• InChIKey: VFLHWTMBJAFPEC-UHFFFAOYSA-N
• XLogP: 3.24
• TPSA: 119.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	724.61
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindol-3-yl)-N-[5-[2-[2-[5-[[2-(1-methylindol-3-yl)acetyl]amino]-1,3,4-selenadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-selenadiazol-2-yl]acetamide?

The IUPAC name of 2-(1-methylindol-3-yl)-N-[5-[2-[2-[5-[[2-(1-methylindol-3-yl)acetyl]amino]-1,3,4-selenadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-selenadiazol-2-yl]acetamide (CID 155537033) is 2-(1-methylindol-3-yl)-N-[5-[2-[2-[5-[[2-(1-methylindol-3-yl)acetyl]amino]-1,3,4-selenadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-selenadiazol-2-yl]acetamide.

What is the SMILES notation for 2-(1-methylindol-3-yl)-N-[5-[2-[2-[5-[[2-(1-methylindol-3-yl)acetyl]amino]-1,3,4-selenadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-selenadiazol-2-yl]acetamide?

The canonical SMILES for 2-(1-methylindol-3-yl)-N-[5-[2-[2-[5-[[2-(1-methylindol-3-yl)acetyl]amino]-1,3,4-selenadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-selenadiazol-2-yl]acetamide is Cn1cc(CC(=O)Nc2nnc(CCSCCc3nnc(NC(=O)Cc4cn(C)c5ccccc45)[se]3)[se]2)c2ccccc21.

What is the InChIKey of 2-(1-methylindol-3-yl)-N-[5-[2-[2-[5-[[2-(1-methylindol-3-yl)acetyl]amino]-1,3,4-selenadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-selenadiazol-2-yl]acetamide?

The InChIKey is VFLHWTMBJAFPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N8O2SSe2/c1-37-17-19(21-7-3-5-9-23(21)37)15-25(39)31-29-35-33-27(42-29)11-13-41-14-12-28-34-36-30(43-28)32-26(40)16-20-18-38(2)24-10-6-4-8-22(20)24/h3-10,17-18H,11-16H2,1-2H3,(H,31,35,39)(H,32,36,40).

What are the key properties of 2-(1-methylindol-3-yl)-N-[5-[2-[2-[5-[[2-(1-methylindol-3-yl)acetyl]amino]-1,3,4-selenadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-selenadiazol-2-yl]acetamide?

2-(1-methylindol-3-yl)-N-[5-[2-[2-[5-[[2-(1-methylindol-3-yl)acetyl]amino]-1,3,4-selenadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-selenadiazol-2-yl]acetamide has a molecular weight of 724.61 g/mol, XLogP of 3.24, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-methylindol-3-yl)-N-[5-[2-[2-[5-[[2-(1-methylindol-3-yl)acetyl]amino]-1,3,4-selenadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-selenadiazol-2-yl]acetamide is sourced from PubChem (CID 155537033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).