4-[benzyl(ethyl)sulfamoyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide

C30H28N4O4S2 — CID 43965845

About 4-[benzyl(ethyl)sulfamoyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide

4-[benzyl(ethyl)sulfamoyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 43965845) has the molecular formula C30H28N4O4S2 and a molecular weight of 572.71 g/mol. Its IUPAC name is 4-[benzyl(ethyl)sulfamoyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

• Compound Name: 4-[benzyl(ethyl)sulfamoyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
• PubChem CID: 43965845
• Molecular Formula: C30H28N4O4S2
• Molecular Weight: 572.71 g/mol
• Exact Mass: 572.16
• IUPAC Name: 4-[benzyl(ethyl)sulfamoyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
• SMILES: CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)N(Cc2cccnc2)c2nc3ccc(OC)cc3s2)cc1
• InChI: InChI=1S/C30H28N4O4S2/c1-3-33(20-22-8-5-4-6-9-22)40(36,37)26-14-11-24(12-15-26)29(35)34(21-23-10-7-17-31-19-23)30-32-27-16-13-25(38-2)18-28(27)39-30/h4-19H,3,20-21H2,1-2H3
• InChIKey: YZHPIMLQTAVZMT-UHFFFAOYSA-N
• XLogP: 5.76
• TPSA: 92.70 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	572.71
LogP ≤ 5	5.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(ethyl)sulfamoyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide?

The IUPAC name of 4-[benzyl(ethyl)sulfamoyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide (CID 43965845) is 4-[benzyl(ethyl)sulfamoyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide.

What is the SMILES notation for 4-[benzyl(ethyl)sulfamoyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide?

The canonical SMILES for 4-[benzyl(ethyl)sulfamoyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide is CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)N(Cc2cccnc2)c2nc3ccc(OC)cc3s2)cc1.

What is the InChIKey of 4-[benzyl(ethyl)sulfamoyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide?

The InChIKey is YZHPIMLQTAVZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N4O4S2/c1-3-33(20-22-8-5-4-6-9-22)40(36,37)26-14-11-24(12-15-26)29(35)34(21-23-10-7-17-31-19-23)30-32-27-16-13-25(38-2)18-28(27)39-30/h4-19H,3,20-21H2,1-2H3.

What are the key properties of 4-[benzyl(ethyl)sulfamoyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide?

4-[benzyl(ethyl)sulfamoyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 572.71 g/mol, XLogP of 5.76, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[benzyl(ethyl)sulfamoyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 43965845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).