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

C27H39ClN4O6S2 — CID 44925183

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

4-[bis(2-methoxyethyl)sulfamoyl]-N-[2-(diethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride (PubChem CID 44925183) has the molecular formula C27H39ClN4O6S2 and a molecular weight of 615.22 g/mol. Its IUPAC name is 4-[bis(2-methoxyethyl)sulfamoyl]-N-[2-(diethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride.

Molecular Properties

• Compound Name: 4-[bis(2-methoxyethyl)sulfamoyl]-N-[2-(diethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride
• PubChem CID: 44925183
• Molecular Formula: C27H39ClN4O6S2
• Molecular Weight: 615.22 g/mol
• Exact Mass: 614.20
• IUPAC Name: 4-[bis(2-methoxyethyl)sulfamoyl]-N-[2-(diethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride
• SMILES: CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N(CCOC)CCOC)cc1)c1nc2ccc(OC)cc2s1.Cl
• InChI: InChI=1S/C27H38N4O6S2.ClH/c1-6-29(7-2)14-15-31(27-28-24-13-10-22(37-5)20-25(24)38-27)26(32)21-8-11-23(12-9-21)39(33,34)30(16-18-35-3)17-19-36-4;/h8-13,20H,6-7,14-19H2,1-5H3;1H
• InChIKey: AVBIHYRRKWYBPX-UHFFFAOYSA-N
• XLogP: 4.00
• TPSA: 101.51 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 16
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	615.22
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-[bis(2-methoxyethyl)sulfamoyl]-N-[2-(diethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride?

The IUPAC name of 4-[bis(2-methoxyethyl)sulfamoyl]-N-[2-(diethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride (CID 44925183) is 4-[bis(2-methoxyethyl)sulfamoyl]-N-[2-(diethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride.

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

The canonical SMILES for 4-[bis(2-methoxyethyl)sulfamoyl]-N-[2-(diethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride is CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N(CCOC)CCOC)cc1)c1nc2ccc(OC)cc2s1.Cl.

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

The InChIKey is AVBIHYRRKWYBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N4O6S2.ClH/c1-6-29(7-2)14-15-31(27-28-24-13-10-22(37-5)20-25(24)38-27)26(32)21-8-11-23(12-9-21)39(33,34)30(16-18-35-3)17-19-36-4;/h8-13,20H,6-7,14-19H2,1-5H3;1H.

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

4-[bis(2-methoxyethyl)sulfamoyl]-N-[2-(diethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride has a molecular weight of 615.22 g/mol, XLogP of 4.00, 16 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[bis(2-methoxyethyl)sulfamoyl]-N-[2-(diethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride is sourced from PubChem (CID 44925183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).