2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide

C24H25N5O2S — CID 24600689

About 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide

2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide (PubChem CID 24600689) has the molecular formula C24H25N5O2S and a molecular weight of 447.56 g/mol. Its IUPAC name is 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

• Compound Name: 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
• PubChem CID: 24600689
• Molecular Formula: C24H25N5O2S
• Molecular Weight: 447.56 g/mol
• Exact Mass: 447.17
• IUPAC Name: 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
• SMILES: COc1ccc(C(CNC(=O)CSc2nncn2C2CC2)c2c[nH]c3ccccc23)cc1
• InChI: InChI=1S/C24H25N5O2S/c1-31-18-10-6-16(7-11-18)20(21-13-25-22-5-3-2-4-19(21)22)12-26-23(30)14-32-24-28-27-15-29(24)17-8-9-17/h2-7,10-11,13,15,17,20,25H,8-9,12,14H2,1H3,(H,26,30)
• InChIKey: WEBQKUXIEGLINJ-UHFFFAOYSA-N
• XLogP: 4.14
• TPSA: 84.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.56
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide?

The IUPAC name of 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide (CID 24600689) is 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide.

What is the SMILES notation for 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide?

The canonical SMILES for 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide is COc1ccc(C(CNC(=O)CSc2nncn2C2CC2)c2c[nH]c3ccccc23)cc1.

What is the InChIKey of 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide?

The InChIKey is WEBQKUXIEGLINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2S/c1-31-18-10-6-16(7-11-18)20(21-13-25-22-5-3-2-4-19(21)22)12-26-23(30)14-32-24-28-27-15-29(24)17-8-9-17/h2-7,10-11,13,15,17,20,25H,8-9,12,14H2,1H3,(H,26,30).

What are the key properties of 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide?

2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide has a molecular weight of 447.56 g/mol, XLogP of 4.14, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 24600689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).