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

C20H23N5O5S — CID 166752227

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

N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-5-methoxy-1-methylpyrazole-3-carboxamide (PubChem CID 166752227) has the molecular formula C20H23N5O5S and a molecular weight of 445.50 g/mol. Its IUPAC name is N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-5-methoxy-1-methylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-5-methoxy-1-methylpyrazole-3-carboxamide
• PubChem CID: 166752227
• Molecular Formula: C20H23N5O5S
• Molecular Weight: 445.50 g/mol
• Exact Mass: 445.14
• IUPAC Name: N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-5-methoxy-1-methylpyrazole-3-carboxamide
• SMILES: COc1ncc(NC(=O)c2cc(OC)n(C)n2)cc1S(=O)(=O)Nc1c(C)cccc1C
• InChI: InChI=1S/C20H23N5O5S/c1-12-7-6-8-13(2)18(12)24-31(27,28)16-9-14(11-21-20(16)30-5)22-19(26)15-10-17(29-4)25(3)23-15/h6-11,24H,1-5H3,(H,22,26)
• InChIKey: LVJGAUQKOTYCHM-UHFFFAOYSA-N
• XLogP: 2.50
• TPSA: 124.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.50
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-5-methoxy-1-methylpyrazole-3-carboxamide (CID 166752227) is N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-5-methoxy-1-methylpyrazole-3-carboxamide.

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

The canonical SMILES for N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-5-methoxy-1-methylpyrazole-3-carboxamide is COc1ncc(NC(=O)c2cc(OC)n(C)n2)cc1S(=O)(=O)Nc1c(C)cccc1C.

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

The InChIKey is LVJGAUQKOTYCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O5S/c1-12-7-6-8-13(2)18(12)24-31(27,28)16-9-14(11-21-20(16)30-5)22-19(26)15-10-17(29-4)25(3)23-15/h6-11,24H,1-5H3,(H,22,26).

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

N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-5-methoxy-1-methylpyrazole-3-carboxamide has a molecular weight of 445.50 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-5-methoxy-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 166752227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).