4-[bis(2-methylpropyl)sulfamoyl]-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide

C26H33N3O5S2 — CID 3575429

About 4-[bis(2-methylpropyl)sulfamoyl]-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide

4-[bis(2-methylpropyl)sulfamoyl]-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 3575429) has the molecular formula C26H33N3O5S2 and a molecular weight of 531.70 g/mol. Its IUPAC name is 4-[bis(2-methylpropyl)sulfamoyl]-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-[bis(2-methylpropyl)sulfamoyl]-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
• PubChem CID: 3575429
• Molecular Formula: C26H33N3O5S2
• Molecular Weight: 531.70 g/mol
• Exact Mass: 531.19
• IUPAC Name: 4-[bis(2-methylpropyl)sulfamoyl]-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
• SMILES: COc1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc3)n2)cc1OC
• InChI: InChI=1S/C26H33N3O5S2/c1-17(2)14-29(15-18(3)4)36(31,32)21-10-7-19(8-11-21)25(30)28-26-27-22(16-35-26)20-9-12-23(33-5)24(13-20)34-6/h7-13,16-18H,14-15H2,1-6H3,(H,27,28,30)
• InChIKey: YDXRFBCNZNSQTG-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 97.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	531.70
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[bis(2-methylpropyl)sulfamoyl]-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide?

The IUPAC name of 4-[bis(2-methylpropyl)sulfamoyl]-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide (CID 3575429) is 4-[bis(2-methylpropyl)sulfamoyl]-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide.

What is the SMILES notation for 4-[bis(2-methylpropyl)sulfamoyl]-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide?

The canonical SMILES for 4-[bis(2-methylpropyl)sulfamoyl]-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide is COc1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc3)n2)cc1OC.

What is the InChIKey of 4-[bis(2-methylpropyl)sulfamoyl]-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide?

The InChIKey is YDXRFBCNZNSQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O5S2/c1-17(2)14-29(15-18(3)4)36(31,32)21-10-7-19(8-11-21)25(30)28-26-27-22(16-35-26)20-9-12-23(33-5)24(13-20)34-6/h7-13,16-18H,14-15H2,1-6H3,(H,27,28,30).

What are the key properties of 4-[bis(2-methylpropyl)sulfamoyl]-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide?

4-[bis(2-methylpropyl)sulfamoyl]-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 531.70 g/mol, XLogP of 5.38, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[bis(2-methylpropyl)sulfamoyl]-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 3575429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).