N-[4-[[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]sulfamoyl]phenyl]acetamide

C23H22N6O4S — CID 122312712

About N-[4-[[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]sulfamoyl]phenyl]acetamide

N-[4-[[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]sulfamoyl]phenyl]acetamide (PubChem CID 122312712) has the molecular formula C23H22N6O4S and a molecular weight of 478.53 g/mol. Its IUPAC name is N-[4-[[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]sulfamoyl]phenyl]acetamide
• PubChem CID: 122312712
• Molecular Formula: C23H22N6O4S
• Molecular Weight: 478.53 g/mol
• Exact Mass: 478.14
• IUPAC Name: N-[4-[[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]sulfamoyl]phenyl]acetamide
• SMILES: CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Oc3cc(-n4ccnc4C)nc(C)n3)cc2)cc1
• InChI: InChI=1S/C23H22N6O4S/c1-15-25-22(29-13-12-24-16(29)2)14-23(26-15)33-20-8-4-19(5-9-20)28-34(31,32)21-10-6-18(7-11-21)27-17(3)30/h4-14,28H,1-3H3,(H,27,30)
• InChIKey: WZPOOFKORSTFOQ-UHFFFAOYSA-N
• XLogP: 3.83
• TPSA: 128.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.53
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]sulfamoyl]phenyl]acetamide?

The IUPAC name of N-[4-[[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]sulfamoyl]phenyl]acetamide (CID 122312712) is N-[4-[[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]sulfamoyl]phenyl]acetamide.

What is the SMILES notation for N-[4-[[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]sulfamoyl]phenyl]acetamide?

The canonical SMILES for N-[4-[[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Oc3cc(-n4ccnc4C)nc(C)n3)cc2)cc1.

What is the InChIKey of N-[4-[[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]sulfamoyl]phenyl]acetamide?

The InChIKey is WZPOOFKORSTFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O4S/c1-15-25-22(29-13-12-24-16(29)2)14-23(26-15)33-20-8-4-19(5-9-20)28-34(31,32)21-10-6-18(7-11-21)27-17(3)30/h4-14,28H,1-3H3,(H,27,30).

What are the key properties of N-[4-[[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]sulfamoyl]phenyl]acetamide?

N-[4-[[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]sulfamoyl]phenyl]acetamide has a molecular weight of 478.53 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 122312712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).