4-[bis(2-methoxyethyl)sulfamoyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride

C26H37ClN4O7S2 — CID 44924268

About 4-[bis(2-methoxyethyl)sulfamoyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride

4-[bis(2-methoxyethyl)sulfamoyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride (PubChem CID 44924268) has the molecular formula C26H37ClN4O7S2 and a molecular weight of 617.19 g/mol. Its IUPAC name is 4-[bis(2-methoxyethyl)sulfamoyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride.

Molecular Properties

• Compound Name: 4-[bis(2-methoxyethyl)sulfamoyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride
• PubChem CID: 44924268
• Molecular Formula: C26H37ClN4O7S2
• Molecular Weight: 617.19 g/mol
• Exact Mass: 616.18
• IUPAC Name: 4-[bis(2-methoxyethyl)sulfamoyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride
• SMILES: COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)N(CCN(C)C)c2nc3cc(OC)c(OC)cc3s2)cc1.Cl
• InChI: InChI=1S/C26H36N4O7S2.ClH/c1-28(2)11-12-30(26-27-21-17-22(36-5)23(37-6)18-24(21)38-26)25(31)19-7-9-20(10-8-19)39(32,33)29(13-15-34-3)14-16-35-4;/h7-10,17-18H,11-16H2,1-6H3;1H
• InChIKey: YWNIWNFLEBIVAF-UHFFFAOYSA-N
• XLogP: 3.23
• TPSA: 110.74 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 15
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	617.19
LogP ≤ 5	3.23
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-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride?

The IUPAC name of 4-[bis(2-methoxyethyl)sulfamoyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride (CID 44924268) is 4-[bis(2-methoxyethyl)sulfamoyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride.

What is the SMILES notation for 4-[bis(2-methoxyethyl)sulfamoyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride?

The canonical SMILES for 4-[bis(2-methoxyethyl)sulfamoyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride is COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)N(CCN(C)C)c2nc3cc(OC)c(OC)cc3s2)cc1.Cl.

What is the InChIKey of 4-[bis(2-methoxyethyl)sulfamoyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride?

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

What are the key properties of 4-[bis(2-methoxyethyl)sulfamoyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride?

4-[bis(2-methoxyethyl)sulfamoyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride has a molecular weight of 617.19 g/mol, XLogP of 3.23, 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-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride is sourced from PubChem (CID 44924268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).