N-[[5-[[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide

C22H26N6O4S2 — CID 122326208

About N-[[5-[[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide

N-[[5-[[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide (PubChem CID 122326208) has the molecular formula C22H26N6O4S2 and a molecular weight of 502.62 g/mol. Its IUPAC name is N-[[5-[[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[5-[[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide
• PubChem CID: 122326208
• Molecular Formula: C22H26N6O4S2
• Molecular Weight: 502.62 g/mol
• Exact Mass: 502.15
• IUPAC Name: N-[[5-[[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide
• SMILES: CC(=O)NCc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(C)nc(N4CCOCC4)n3)cc2)s1
• InChI: InChI=1S/C22H26N6O4S2/c1-15-13-20(26-22(24-15)28-9-11-32-12-10-28)25-17-3-5-18(6-4-17)27-34(30,31)21-8-7-19(33-21)14-23-16(2)29/h3-8,13,27H,9-12,14H2,1-2H3,(H,23,29)(H,24,25,26)
• InChIKey: IRAJNRUBNCHQEN-UHFFFAOYSA-N
• XLogP: 2.86
• TPSA: 125.55 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.62
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide?

The IUPAC name of N-[[5-[[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide (CID 122326208) is N-[[5-[[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide.

What is the SMILES notation for N-[[5-[[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide?

The canonical SMILES for N-[[5-[[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide is CC(=O)NCc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(C)nc(N4CCOCC4)n3)cc2)s1.

What is the InChIKey of N-[[5-[[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide?

The InChIKey is IRAJNRUBNCHQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O4S2/c1-15-13-20(26-22(24-15)28-9-11-32-12-10-28)25-17-3-5-18(6-4-17)27-34(30,31)21-8-7-19(33-21)14-23-16(2)29/h3-8,13,27H,9-12,14H2,1-2H3,(H,23,29)(H,24,25,26).

What are the key properties of N-[[5-[[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide?

N-[[5-[[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide has a molecular weight of 502.62 g/mol, XLogP of 2.86, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-[[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide is sourced from PubChem (CID 122326208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).