4-[bis(2-methoxyethyl)sulfamoyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide

C26H36N4O7S2 — CID 43959178

About 4-[bis(2-methoxyethyl)sulfamoyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide

4-[bis(2-methoxyethyl)sulfamoyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide (PubChem CID 43959178) has the molecular formula C26H36N4O7S2 and a molecular weight of 580.73 g/mol. Its IUPAC name is 4-[bis(2-methoxyethyl)sulfamoyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide.

Molecular Properties

• Compound Name: 4-[bis(2-methoxyethyl)sulfamoyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide
• PubChem CID: 43959178
• Molecular Formula: C26H36N4O7S2
• Molecular Weight: 580.73 g/mol
• Exact Mass: 580.20
• IUPAC Name: 4-[bis(2-methoxyethyl)sulfamoyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide
• SMILES: COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)N(CCN(C)C)c2nc3c(OC)ccc(OC)c3s2)cc1
• InChI: InChI=1S/C26H36N4O7S2/c1-28(2)13-14-30(26-27-23-21(36-5)11-12-22(37-6)24(23)38-26)25(31)19-7-9-20(10-8-19)39(32,33)29(15-17-34-3)16-18-35-4/h7-12H,13-18H2,1-6H3
• InChIKey: NWBLJKPQRJGPGG-UHFFFAOYSA-N
• XLogP: 2.81
• TPSA: 110.74 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 15
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	580.73
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-[bis(2-methoxyethyl)sulfamoyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide?

The IUPAC name of 4-[bis(2-methoxyethyl)sulfamoyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide (CID 43959178) is 4-[bis(2-methoxyethyl)sulfamoyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide.

What is the SMILES notation for 4-[bis(2-methoxyethyl)sulfamoyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide?

The canonical SMILES for 4-[bis(2-methoxyethyl)sulfamoyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide is COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)N(CCN(C)C)c2nc3c(OC)ccc(OC)c3s2)cc1.

What is the InChIKey of 4-[bis(2-methoxyethyl)sulfamoyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide?

The InChIKey is NWBLJKPQRJGPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O7S2/c1-28(2)13-14-30(26-27-23-21(36-5)11-12-22(37-6)24(23)38-26)25(31)19-7-9-20(10-8-19)39(32,33)29(15-17-34-3)16-18-35-4/h7-12H,13-18H2,1-6H3.

What are the key properties of 4-[bis(2-methoxyethyl)sulfamoyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide?

4-[bis(2-methoxyethyl)sulfamoyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide has a molecular weight of 580.73 g/mol, XLogP of 2.81, 15 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[bis(2-methoxyethyl)sulfamoyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide is sourced from PubChem (CID 43959178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).