4-[bis(2-methoxyethyl)sulfamoyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide

C28H32N4O5S2 — CID 43988142

About 4-[bis(2-methoxyethyl)sulfamoyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide

4-[bis(2-methoxyethyl)sulfamoyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 43988142) has the molecular formula C28H32N4O5S2 and a molecular weight of 568.72 g/mol. Its IUPAC name is 4-[bis(2-methoxyethyl)sulfamoyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

• Compound Name: 4-[bis(2-methoxyethyl)sulfamoyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
• PubChem CID: 43988142
• Molecular Formula: C28H32N4O5S2
• Molecular Weight: 568.72 g/mol
• Exact Mass: 568.18
• IUPAC Name: 4-[bis(2-methoxyethyl)sulfamoyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
• SMILES: COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)N(Cc2ccccn2)c2nc3c(C)ccc(C)c3s2)cc1
• InChI: InChI=1S/C28H32N4O5S2/c1-20-8-9-21(2)26-25(20)30-28(38-26)32(19-23-7-5-6-14-29-23)27(33)22-10-12-24(13-11-22)39(34,35)31(15-17-36-3)16-18-37-4/h5-14H,15-19H2,1-4H3
• InChIKey: CUIKOWVJDLURML-UHFFFAOYSA-N
• XLogP: 4.44
• TPSA: 101.93 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	568.72
LogP ≤ 5	4.44
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-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide?

The IUPAC name of 4-[bis(2-methoxyethyl)sulfamoyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide (CID 43988142) is 4-[bis(2-methoxyethyl)sulfamoyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide.

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

The canonical SMILES for 4-[bis(2-methoxyethyl)sulfamoyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide is COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)N(Cc2ccccn2)c2nc3c(C)ccc(C)c3s2)cc1.

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

The InChIKey is CUIKOWVJDLURML-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O5S2/c1-20-8-9-21(2)26-25(20)30-28(38-26)32(19-23-7-5-6-14-29-23)27(33)22-10-12-24(13-11-22)39(34,35)31(15-17-36-3)16-18-37-4/h5-14H,15-19H2,1-4H3.

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

4-[bis(2-methoxyethyl)sulfamoyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 568.72 g/mol, XLogP of 4.44, 12 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-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 43988142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).