4-(diethylsulfamoyl)-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide

C26H28N4O5S2 — CID 43988146

About 4-(diethylsulfamoyl)-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide

4-(diethylsulfamoyl)-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 43988146) has the molecular formula C26H28N4O5S2 and a molecular weight of 540.67 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

• Compound Name: 4-(diethylsulfamoyl)-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
• PubChem CID: 43988146
• Molecular Formula: C26H28N4O5S2
• Molecular Weight: 540.67 g/mol
• Exact Mass: 540.15
• IUPAC Name: 4-(diethylsulfamoyl)-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
• SMILES: CCN(CC)S(=O)(=O)c1ccc(C(=O)N(Cc2ccccn2)c2nc3c(OC)ccc(OC)c3s2)cc1
• InChI: InChI=1S/C26H28N4O5S2/c1-5-29(6-2)37(32,33)20-12-10-18(11-13-20)25(31)30(17-19-9-7-8-16-27-19)26-28-23-21(34-3)14-15-22(35-4)24(23)36-26/h7-16H,5-6,17H2,1-4H3
• InChIKey: DGGIJIZKNXNEQT-UHFFFAOYSA-N
• XLogP: 4.59
• TPSA: 101.93 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	540.67
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide?

The IUPAC name of 4-(diethylsulfamoyl)-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide (CID 43988146) is 4-(diethylsulfamoyl)-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide.

What is the SMILES notation for 4-(diethylsulfamoyl)-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide?

The canonical SMILES for 4-(diethylsulfamoyl)-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)N(Cc2ccccn2)c2nc3c(OC)ccc(OC)c3s2)cc1.

What is the InChIKey of 4-(diethylsulfamoyl)-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide?

The InChIKey is DGGIJIZKNXNEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O5S2/c1-5-29(6-2)37(32,33)20-12-10-18(11-13-20)25(31)30(17-19-9-7-8-16-27-19)26-28-23-21(34-3)14-15-22(35-4)24(23)36-26/h7-16H,5-6,17H2,1-4H3.

What are the key properties of 4-(diethylsulfamoyl)-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide?

4-(diethylsulfamoyl)-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 540.67 g/mol, XLogP of 4.59, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(diethylsulfamoyl)-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 43988146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).