4-[benzyl(methyl)sulfamoyl]-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide

C26H25N3O4S2 — CID 4181220

About 4-[benzyl(methyl)sulfamoyl]-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide

4-[benzyl(methyl)sulfamoyl]-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 4181220) has the molecular formula C26H25N3O4S2 and a molecular weight of 507.64 g/mol. Its IUPAC name is 4-[benzyl(methyl)sulfamoyl]-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-[benzyl(methyl)sulfamoyl]-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide
• PubChem CID: 4181220
• Molecular Formula: C26H25N3O4S2
• Molecular Weight: 507.64 g/mol
• Exact Mass: 507.13
• IUPAC Name: 4-[benzyl(methyl)sulfamoyl]-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide
• SMILES: COc1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N(C)Cc4ccccc4)cc3)n2)cc1C
• InChI: InChI=1S/C26H25N3O4S2/c1-18-15-21(11-14-24(18)33-3)23-17-34-26(27-23)28-25(30)20-9-12-22(13-10-20)35(31,32)29(2)16-19-7-5-4-6-8-19/h4-15,17H,16H2,1-3H3,(H,27,28,30)
• InChIKey: ICGXTWMLGAYXED-UHFFFAOYSA-N
• XLogP: 5.20
• TPSA: 88.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.64
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(methyl)sulfamoyl]-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide?

The IUPAC name of 4-[benzyl(methyl)sulfamoyl]-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide (CID 4181220) is 4-[benzyl(methyl)sulfamoyl]-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide.

What is the SMILES notation for 4-[benzyl(methyl)sulfamoyl]-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide?

The canonical SMILES for 4-[benzyl(methyl)sulfamoyl]-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide is COc1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N(C)Cc4ccccc4)cc3)n2)cc1C.

What is the InChIKey of 4-[benzyl(methyl)sulfamoyl]-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide?

The InChIKey is ICGXTWMLGAYXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4S2/c1-18-15-21(11-14-24(18)33-3)23-17-34-26(27-23)28-25(30)20-9-12-22(13-10-20)35(31,32)29(2)16-19-7-5-4-6-8-19/h4-15,17H,16H2,1-3H3,(H,27,28,30).

What are the key properties of 4-[benzyl(methyl)sulfamoyl]-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide?

4-[benzyl(methyl)sulfamoyl]-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 507.64 g/mol, XLogP of 5.20, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[benzyl(methyl)sulfamoyl]-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 4181220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).