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

C24H28N6O2S — CID 126396260

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

2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(2-propan-2-ylphenyl)acetamide (PubChem CID 126396260) has the molecular formula C24H28N6O2S and a molecular weight of 464.60 g/mol. Its IUPAC name is 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(2-propan-2-ylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(2-propan-2-ylphenyl)acetamide
• PubChem CID: 126396260
• Molecular Formula: C24H28N6O2S
• Molecular Weight: 464.60 g/mol
• Exact Mass: 464.20
• IUPAC Name: 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(2-propan-2-ylphenyl)acetamide
• SMILES: CC(C)c1ccccc1NC(=O)CSc1nc(Nc2ccccc2)nc(N2CCOCC2)n1
• InChI: InChI=1S/C24H28N6O2S/c1-17(2)19-10-6-7-11-20(19)26-21(31)16-33-24-28-22(25-18-8-4-3-5-9-18)27-23(29-24)30-12-14-32-15-13-30/h3-11,17H,12-16H2,1-2H3,(H,26,31)(H,25,27,28,29)
• InChIKey: OGQADEQXJSWHAG-UHFFFAOYSA-N
• XLogP: 4.31
• TPSA: 92.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.60
LogP ≤ 5	4.31
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-(2-propan-2-ylphenyl)acetamide?

The IUPAC name of 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(2-propan-2-ylphenyl)acetamide (CID 126396260) is 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(2-propan-2-ylphenyl)acetamide.

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

The canonical SMILES for 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(2-propan-2-ylphenyl)acetamide is CC(C)c1ccccc1NC(=O)CSc1nc(Nc2ccccc2)nc(N2CCOCC2)n1.

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

The InChIKey is OGQADEQXJSWHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2S/c1-17(2)19-10-6-7-11-20(19)26-21(31)16-33-24-28-22(25-18-8-4-3-5-9-18)27-23(29-24)30-12-14-32-15-13-30/h3-11,17H,12-16H2,1-2H3,(H,26,31)(H,25,27,28,29).

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

2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(2-propan-2-ylphenyl)acetamide has a molecular weight of 464.60 g/mol, XLogP of 4.31, 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-(2-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 126396260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).