8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-[[4-(methylsulfamoyl)phenyl]methoxy]-N-oxoquinoline-4-carboxamide

C28H23N3O6S — CID 163862086

About 8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-[[4-(methylsulfamoyl)phenyl]methoxy]-N-oxoquinoline-4-carboxamide

8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-[[4-(methylsulfamoyl)phenyl]methoxy]-N-oxoquinoline-4-carboxamide (PubChem CID 163862086) has the molecular formula C28H23N3O6S and a molecular weight of 529.57 g/mol. Its IUPAC name is 8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-[[4-(methylsulfamoyl)phenyl]methoxy]-N-oxoquinoline-4-carboxamide.

Molecular Properties

• Compound Name: 8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-[[4-(methylsulfamoyl)phenyl]methoxy]-N-oxoquinoline-4-carboxamide
• PubChem CID: 163862086
• Molecular Formula: C28H23N3O6S
• Molecular Weight: 529.57 g/mol
• Exact Mass: 529.13
• IUPAC Name: 8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-[[4-(methylsulfamoyl)phenyl]methoxy]-N-oxoquinoline-4-carboxamide
• SMILES: CNS(=O)(=O)c1ccc(COc2ccc(C)c3nc(-c4oc5ccccc5c4C)cc(C(=O)N=O)c23)cc1
• InChI: InChI=1S/C28H23N3O6S/c1-16-8-13-24(36-15-18-9-11-19(12-10-18)38(34,35)29-3)25-21(28(32)31-33)14-22(30-26(16)25)27-17(2)20-6-4-5-7-23(20)37-27/h4-14,29H,15H2,1-3H3
• InChIKey: PDKZDNFFRMFVSD-UHFFFAOYSA-N
• XLogP: 5.66
• TPSA: 127.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	529.57
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-[[4-(methylsulfamoyl)phenyl]methoxy]-N-oxoquinoline-4-carboxamide?

The IUPAC name of 8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-[[4-(methylsulfamoyl)phenyl]methoxy]-N-oxoquinoline-4-carboxamide (CID 163862086) is 8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-[[4-(methylsulfamoyl)phenyl]methoxy]-N-oxoquinoline-4-carboxamide.

What is the SMILES notation for 8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-[[4-(methylsulfamoyl)phenyl]methoxy]-N-oxoquinoline-4-carboxamide?

The canonical SMILES for 8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-[[4-(methylsulfamoyl)phenyl]methoxy]-N-oxoquinoline-4-carboxamide is CNS(=O)(=O)c1ccc(COc2ccc(C)c3nc(-c4oc5ccccc5c4C)cc(C(=O)N=O)c23)cc1.

What is the InChIKey of 8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-[[4-(methylsulfamoyl)phenyl]methoxy]-N-oxoquinoline-4-carboxamide?

The InChIKey is PDKZDNFFRMFVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O6S/c1-16-8-13-24(36-15-18-9-11-19(12-10-18)38(34,35)29-3)25-21(28(32)31-33)14-22(30-26(16)25)27-17(2)20-6-4-5-7-23(20)37-27/h4-14,29H,15H2,1-3H3.

What are the key properties of 8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-[[4-(methylsulfamoyl)phenyl]methoxy]-N-oxoquinoline-4-carboxamide?

8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-[[4-(methylsulfamoyl)phenyl]methoxy]-N-oxoquinoline-4-carboxamide has a molecular weight of 529.57 g/mol, XLogP of 5.66, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-[[4-(methylsulfamoyl)phenyl]methoxy]-N-oxoquinoline-4-carboxamide is sourced from PubChem (CID 163862086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).