2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(4-ethylphenyl)acetamide

C23H26N6O2S — CID 126394126

About 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(4-ethylphenyl)acetamide

2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(4-ethylphenyl)acetamide (PubChem CID 126394126) has the molecular formula C23H26N6O2S and a molecular weight of 450.57 g/mol. Its IUPAC name is 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(4-ethylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(4-ethylphenyl)acetamide
• PubChem CID: 126394126
• Molecular Formula: C23H26N6O2S
• Molecular Weight: 450.57 g/mol
• Exact Mass: 450.18
• IUPAC Name: 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(4-ethylphenyl)acetamide
• SMILES: CCc1ccc(NC(=O)CSc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)cc1
• InChI: InChI=1S/C23H26N6O2S/c1-2-17-8-10-19(11-9-17)24-20(30)16-32-23-27-21(25-18-6-4-3-5-7-18)26-22(28-23)29-12-14-31-15-13-29/h3-11H,2,12-16H2,1H3,(H,24,30)(H,25,26,27,28)
• InChIKey: HMLBIOCQLNSBOU-UHFFFAOYSA-N
• XLogP: 3.74
• TPSA: 92.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.57
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(4-ethylphenyl)acetamide?

The IUPAC name of 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(4-ethylphenyl)acetamide (CID 126394126) is 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(4-ethylphenyl)acetamide.

What is the SMILES notation for 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(4-ethylphenyl)acetamide?

The canonical SMILES for 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(4-ethylphenyl)acetamide is CCc1ccc(NC(=O)CSc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)cc1.

What is the InChIKey of 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(4-ethylphenyl)acetamide?

The InChIKey is HMLBIOCQLNSBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2S/c1-2-17-8-10-19(11-9-17)24-20(30)16-32-23-27-21(25-18-6-4-3-5-7-18)26-22(28-23)29-12-14-31-15-13-29/h3-11H,2,12-16H2,1H3,(H,24,30)(H,25,26,27,28).

What are the key properties of 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(4-ethylphenyl)acetamide?

2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(4-ethylphenyl)acetamide has a molecular weight of 450.57 g/mol, XLogP of 3.74, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(4-ethylphenyl)acetamide is sourced from PubChem (CID 126394126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).