N-[[5-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methylsulfamoyl]thiophen-2-yl]methyl]acetamide

C16H22N6O5S2 — CID 122253924

About N-[[5-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methylsulfamoyl]thiophen-2-yl]methyl]acetamide

N-[[5-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methylsulfamoyl]thiophen-2-yl]methyl]acetamide (PubChem CID 122253924) has the molecular formula C16H22N6O5S2 and a molecular weight of 442.52 g/mol. Its IUPAC name is N-[[5-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methylsulfamoyl]thiophen-2-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[5-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methylsulfamoyl]thiophen-2-yl]methyl]acetamide
• PubChem CID: 122253924
• Molecular Formula: C16H22N6O5S2
• Molecular Weight: 442.52 g/mol
• Exact Mass: 442.11
• IUPAC Name: N-[[5-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methylsulfamoyl]thiophen-2-yl]methyl]acetamide
• SMILES: COc1nc(CNS(=O)(=O)c2ccc(CNC(C)=O)s2)nc(N2CCOCC2)n1
• InChI: InChI=1S/C16H22N6O5S2/c1-11(23)17-9-12-3-4-14(28-12)29(24,25)18-10-13-19-15(21-16(20-13)26-2)22-5-7-27-8-6-22/h3-4,18H,5-10H2,1-2H3,(H,17,23)
• InChIKey: HRHTWPGUFAMFOK-UHFFFAOYSA-N
• XLogP: -0.11
• TPSA: 135.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.52
LogP ≤ 5	-0.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methylsulfamoyl]thiophen-2-yl]methyl]acetamide?

The IUPAC name of N-[[5-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methylsulfamoyl]thiophen-2-yl]methyl]acetamide (CID 122253924) is N-[[5-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methylsulfamoyl]thiophen-2-yl]methyl]acetamide.

What is the SMILES notation for N-[[5-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methylsulfamoyl]thiophen-2-yl]methyl]acetamide?

The canonical SMILES for N-[[5-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methylsulfamoyl]thiophen-2-yl]methyl]acetamide is COc1nc(CNS(=O)(=O)c2ccc(CNC(C)=O)s2)nc(N2CCOCC2)n1.

What is the InChIKey of N-[[5-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methylsulfamoyl]thiophen-2-yl]methyl]acetamide?

The InChIKey is HRHTWPGUFAMFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O5S2/c1-11(23)17-9-12-3-4-14(28-12)29(24,25)18-10-13-19-15(21-16(20-13)26-2)22-5-7-27-8-6-22/h3-4,18H,5-10H2,1-2H3,(H,17,23).

What are the key properties of N-[[5-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methylsulfamoyl]thiophen-2-yl]methyl]acetamide?

N-[[5-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methylsulfamoyl]thiophen-2-yl]methyl]acetamide has a molecular weight of 442.52 g/mol, XLogP of -0.11, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methylsulfamoyl]thiophen-2-yl]methyl]acetamide is sourced from PubChem (CID 122253924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).