4-[bis(2-methoxyethyl)sulfamoyl]-N-(4,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide

C23H29N3O7S2 — CID 5053211

About 4-[bis(2-methoxyethyl)sulfamoyl]-N-(4,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide

4-[bis(2-methoxyethyl)sulfamoyl]-N-(4,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 5053211) has the molecular formula C23H29N3O7S2 and a molecular weight of 523.63 g/mol. Its IUPAC name is 4-[bis(2-methoxyethyl)sulfamoyl]-N-(4,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

• Compound Name: 4-[bis(2-methoxyethyl)sulfamoyl]-N-(4,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
• PubChem CID: 5053211
• Molecular Formula: C23H29N3O7S2
• Molecular Weight: 523.63 g/mol
• Exact Mass: 523.14
• IUPAC Name: 4-[bis(2-methoxyethyl)sulfamoyl]-N-(4,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
• SMILES: COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(OC)cc(OC)c3n2C)cc1
• InChI: InChI=1S/C23H29N3O7S2/c1-25-21-19(33-5)14-17(32-4)15-20(21)34-23(25)24-22(27)16-6-8-18(9-7-16)35(28,29)26(10-12-30-2)11-13-31-3/h6-9,14-15H,10-13H2,1-5H3/b24-23-
• InChIKey: KHQQHTYKMLRABS-VHXPQNKSSA-N
• XLogP: 2.28
• TPSA: 108.66 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.63
LogP ≤ 5	2.28
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-(4,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide?

The IUPAC name of 4-[bis(2-methoxyethyl)sulfamoyl]-N-(4,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide (CID 5053211) is 4-[bis(2-methoxyethyl)sulfamoyl]-N-(4,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide.

What is the SMILES notation for 4-[bis(2-methoxyethyl)sulfamoyl]-N-(4,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide?

The canonical SMILES for 4-[bis(2-methoxyethyl)sulfamoyl]-N-(4,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide is COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(OC)cc(OC)c3n2C)cc1.

What is the InChIKey of 4-[bis(2-methoxyethyl)sulfamoyl]-N-(4,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide?

The InChIKey is KHQQHTYKMLRABS-VHXPQNKSSA-N. The full InChI is InChI=1S/C23H29N3O7S2/c1-25-21-19(33-5)14-17(32-4)15-20(21)34-23(25)24-22(27)16-6-8-18(9-7-16)35(28,29)26(10-12-30-2)11-13-31-3/h6-9,14-15H,10-13H2,1-5H3/b24-23-.

What are the key properties of 4-[bis(2-methoxyethyl)sulfamoyl]-N-(4,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide?

4-[bis(2-methoxyethyl)sulfamoyl]-N-(4,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide has a molecular weight of 523.63 g/mol, XLogP of 2.28, 11 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-(4,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 5053211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).