4-[benzyl(propan-2-yl)sulfamoyl]-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide

C29H31N3O3S2 — CID 16833562

About 4-[benzyl(propan-2-yl)sulfamoyl]-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide

4-[benzyl(propan-2-yl)sulfamoyl]-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 16833562) has the molecular formula C29H31N3O3S2 and a molecular weight of 533.72 g/mol. Its IUPAC name is 4-[benzyl(propan-2-yl)sulfamoyl]-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-[benzyl(propan-2-yl)sulfamoyl]-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
• PubChem CID: 16833562
• Molecular Formula: C29H31N3O3S2
• Molecular Weight: 533.72 g/mol
• Exact Mass: 533.18
• IUPAC Name: 4-[benzyl(propan-2-yl)sulfamoyl]-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
• SMILES: CC(C)c1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N(Cc4ccccc4)C(C)C)cc3)n2)cc1
• InChI: InChI=1S/C29H31N3O3S2/c1-20(2)23-10-12-24(13-11-23)27-19-36-29(30-27)31-28(33)25-14-16-26(17-15-25)37(34,35)32(21(3)4)18-22-8-6-5-7-9-22/h5-17,19-21H,18H2,1-4H3,(H,30,31,33)
• InChIKey: WUOPLFJLTDEHJF-UHFFFAOYSA-N
• XLogP: 6.79
• TPSA: 79.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	533.72
LogP ≤ 5	6.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 4-[benzyl(propan-2-yl)sulfamoyl]-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide (CID 16833562) is 4-[benzyl(propan-2-yl)sulfamoyl]-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide.

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

The canonical SMILES for 4-[benzyl(propan-2-yl)sulfamoyl]-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide is CC(C)c1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N(Cc4ccccc4)C(C)C)cc3)n2)cc1.

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

The InChIKey is WUOPLFJLTDEHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O3S2/c1-20(2)23-10-12-24(13-11-23)27-19-36-29(30-27)31-28(33)25-14-16-26(17-15-25)37(34,35)32(21(3)4)18-22-8-6-5-7-9-22/h5-17,19-21H,18H2,1-4H3,(H,30,31,33).

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

4-[benzyl(propan-2-yl)sulfamoyl]-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 533.72 g/mol, XLogP of 6.79, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[benzyl(propan-2-yl)sulfamoyl]-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 16833562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).