4-[butyl(methyl)sulfamoyl]-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide

C24H29N3O4S2 — CID 4619100

About 4-[butyl(methyl)sulfamoyl]-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide

4-[butyl(methyl)sulfamoyl]-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide (PubChem CID 4619100) has the molecular formula C24H29N3O4S2 and a molecular weight of 487.65 g/mol. Its IUPAC name is 4-[butyl(methyl)sulfamoyl]-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-[butyl(methyl)sulfamoyl]-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
• PubChem CID: 4619100
• Molecular Formula: C24H29N3O4S2
• Molecular Weight: 487.65 g/mol
• Exact Mass: 487.16
• IUPAC Name: 4-[butyl(methyl)sulfamoyl]-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
• SMILES: CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(OCC)cc3)c(C)s2)cc1
• InChI: InChI=1S/C24H29N3O4S2/c1-5-7-16-27(4)33(29,30)21-14-10-19(11-15-21)23(28)26-24-25-22(17(3)32-24)18-8-12-20(13-9-18)31-6-2/h8-15H,5-7,16H2,1-4H3,(H,25,26,28)
• InChIKey: IRXOGUSOCRTYQH-UHFFFAOYSA-N
• XLogP: 5.19
• TPSA: 88.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.65
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[butyl(methyl)sulfamoyl]-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide?

The IUPAC name of 4-[butyl(methyl)sulfamoyl]-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide (CID 4619100) is 4-[butyl(methyl)sulfamoyl]-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide.

What is the SMILES notation for 4-[butyl(methyl)sulfamoyl]-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide?

The canonical SMILES for 4-[butyl(methyl)sulfamoyl]-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide is CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(OCC)cc3)c(C)s2)cc1.

What is the InChIKey of 4-[butyl(methyl)sulfamoyl]-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide?

The InChIKey is IRXOGUSOCRTYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4S2/c1-5-7-16-27(4)33(29,30)21-14-10-19(11-15-21)23(28)26-24-25-22(17(3)32-24)18-8-12-20(13-9-18)31-6-2/h8-15H,5-7,16H2,1-4H3,(H,25,26,28).

What are the key properties of 4-[butyl(methyl)sulfamoyl]-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide?

4-[butyl(methyl)sulfamoyl]-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide has a molecular weight of 487.65 g/mol, XLogP of 5.19, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[butyl(methyl)sulfamoyl]-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 4619100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).