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

C21H23N7O4S2 — CID 2975166

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

2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide (PubChem CID 2975166) has the molecular formula C21H23N7O4S2 and a molecular weight of 501.59 g/mol. Its IUPAC name is 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide
• PubChem CID: 2975166
• Molecular Formula: C21H23N7O4S2
• Molecular Weight: 501.59 g/mol
• Exact Mass: 501.13
• IUPAC Name: 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide
• SMILES: NS(=O)(=O)c1ccc(NC(=O)CSc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)cc1
• InChI: InChI=1S/C21H23N7O4S2/c22-34(30,31)17-8-6-16(7-9-17)23-18(29)14-33-21-26-19(24-15-4-2-1-3-5-15)25-20(27-21)28-10-12-32-13-11-28/h1-9H,10-14H2,(H,23,29)(H2,22,30,31)(H,24,25,26,27)
• InChIKey: DKAHSMZMPGXEQG-UHFFFAOYSA-N
• XLogP: 1.83
• TPSA: 152.43 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.59
LogP ≤ 5	1.83
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

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-sulfamoylphenyl)acetamide?

The IUPAC name of 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide (CID 2975166) is 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide.

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

The canonical SMILES for 2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide is NS(=O)(=O)c1ccc(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-sulfamoylphenyl)acetamide?

The InChIKey is DKAHSMZMPGXEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O4S2/c22-34(30,31)17-8-6-16(7-9-17)23-18(29)14-33-21-26-19(24-15-4-2-1-3-5-15)25-20(27-21)28-10-12-32-13-11-28/h1-9H,10-14H2,(H,23,29)(H2,22,30,31)(H,24,25,26,27).

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

2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 501.59 g/mol, XLogP of 1.83, 8 rotatable bonds, 3 hydrogen bond donors, and 10 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-sulfamoylphenyl)acetamide is sourced from PubChem (CID 2975166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).