N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-2-phenyl-1,3-oxazole-4-carboxamide

C24H22N4O5S — CID 166748291

About N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-2-phenyl-1,3-oxazole-4-carboxamide

N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-2-phenyl-1,3-oxazole-4-carboxamide (PubChem CID 166748291) has the molecular formula C24H22N4O5S and a molecular weight of 478.53 g/mol. Its IUPAC name is N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-2-phenyl-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-2-phenyl-1,3-oxazole-4-carboxamide
• PubChem CID: 166748291
• Molecular Formula: C24H22N4O5S
• Molecular Weight: 478.53 g/mol
• Exact Mass: 478.13
• IUPAC Name: N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-2-phenyl-1,3-oxazole-4-carboxamide
• SMILES: COc1ncc(NC(=O)c2coc(-c3ccccc3)n2)cc1S(=O)(=O)Nc1c(C)cccc1C
• InChI: InChI=1S/C24H22N4O5S/c1-15-8-7-9-16(2)21(15)28-34(30,31)20-12-18(13-25-24(20)32-3)26-22(29)19-14-33-23(27-19)17-10-5-4-6-11-17/h4-14,28H,1-3H3,(H,26,29)
• InChIKey: FCJKLIREZFIYQO-UHFFFAOYSA-N
• XLogP: 4.42
• TPSA: 123.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.53
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-2-phenyl-1,3-oxazole-4-carboxamide?

The IUPAC name of N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-2-phenyl-1,3-oxazole-4-carboxamide (CID 166748291) is N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-2-phenyl-1,3-oxazole-4-carboxamide.

What is the SMILES notation for N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-2-phenyl-1,3-oxazole-4-carboxamide?

The canonical SMILES for N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-2-phenyl-1,3-oxazole-4-carboxamide is COc1ncc(NC(=O)c2coc(-c3ccccc3)n2)cc1S(=O)(=O)Nc1c(C)cccc1C.

What is the InChIKey of N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-2-phenyl-1,3-oxazole-4-carboxamide?

The InChIKey is FCJKLIREZFIYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O5S/c1-15-8-7-9-16(2)21(15)28-34(30,31)20-12-18(13-25-24(20)32-3)26-22(29)19-14-33-23(27-19)17-10-5-4-6-11-17/h4-14,28H,1-3H3,(H,26,29).

What are the key properties of N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-2-phenyl-1,3-oxazole-4-carboxamide?

N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-2-phenyl-1,3-oxazole-4-carboxamide has a molecular weight of 478.53 g/mol, XLogP of 4.42, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-2-phenyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 166748291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).