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

C21H24N4O5S — CID 166752251

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

N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 166752251) has the molecular formula C21H24N4O5S and a molecular weight of 444.51 g/mol. Its IUPAC name is N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
• PubChem CID: 166752251
• Molecular Formula: C21H24N4O5S
• Molecular Weight: 444.51 g/mol
• Exact Mass: 444.15
• IUPAC Name: N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
• SMILES: CCc1noc(C)c1C(=O)Nc1cnc(OC)c(S(=O)(=O)Nc2c(C)cccc2C)c1
• InChI: InChI=1S/C21H24N4O5S/c1-6-16-18(14(4)30-24-16)20(26)23-15-10-17(21(29-5)22-11-15)31(27,28)25-19-12(2)8-7-9-13(19)3/h7-11,25H,6H2,1-5H3,(H,23,26)
• InChIKey: TYHDNBIRWMPBLV-UHFFFAOYSA-N
• XLogP: 3.62
• TPSA: 123.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.51
LogP ≤ 5	3.62
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]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?

The IUPAC name of N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (CID 166752251) is N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.

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

The canonical SMILES for N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)Nc1cnc(OC)c(S(=O)(=O)Nc2c(C)cccc2C)c1.

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

The InChIKey is TYHDNBIRWMPBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O5S/c1-6-16-18(14(4)30-24-16)20(26)23-15-10-17(21(29-5)22-11-15)31(27,28)25-19-12(2)8-7-9-13(19)3/h7-11,25H,6H2,1-5H3,(H,23,26).

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

N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 444.51 g/mol, XLogP of 3.62, 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]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 166752251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).