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

C24H31FN4O5S2 — CID 43958587

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

4-[bis(2-methoxyethyl)sulfamoyl]-N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide (PubChem CID 43958587) has the molecular formula C24H31FN4O5S2 and a molecular weight of 538.67 g/mol. Its IUPAC name is 4-[bis(2-methoxyethyl)sulfamoyl]-N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

• Compound Name: 4-[bis(2-methoxyethyl)sulfamoyl]-N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
• PubChem CID: 43958587
• Molecular Formula: C24H31FN4O5S2
• Molecular Weight: 538.67 g/mol
• Exact Mass: 538.17
• IUPAC Name: 4-[bis(2-methoxyethyl)sulfamoyl]-N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
• SMILES: COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)N(CCN(C)C)c2nc3ccc(F)cc3s2)cc1
• InChI: InChI=1S/C24H31FN4O5S2/c1-27(2)11-12-29(24-26-21-10-7-19(25)17-22(21)35-24)23(30)18-5-8-20(9-6-18)36(31,32)28(13-15-33-3)14-16-34-4/h5-10,17H,11-16H2,1-4H3
• InChIKey: RHFLRLCEWVWNTC-UHFFFAOYSA-N
• XLogP: 2.93
• TPSA: 92.28 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	538.67
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 4-[bis(2-methoxyethyl)sulfamoyl]-N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide (CID 43958587) is 4-[bis(2-methoxyethyl)sulfamoyl]-N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide.

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

The canonical SMILES for 4-[bis(2-methoxyethyl)sulfamoyl]-N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide is COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)N(CCN(C)C)c2nc3ccc(F)cc3s2)cc1.

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

The InChIKey is RHFLRLCEWVWNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN4O5S2/c1-27(2)11-12-29(24-26-21-10-7-19(25)17-22(21)35-24)23(30)18-5-8-20(9-6-18)36(31,32)28(13-15-33-3)14-16-34-4/h5-10,17H,11-16H2,1-4H3.

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

4-[bis(2-methoxyethyl)sulfamoyl]-N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 538.67 g/mol, XLogP of 2.93, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[bis(2-methoxyethyl)sulfamoyl]-N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 43958587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).