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

C24H31N3O5S2 — CID 4161990

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

4-[bis(2-methoxyethyl)sulfamoyl]-N-(3-ethyl-4,6-dimethyl-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 4161990) has the molecular formula C24H31N3O5S2 and a molecular weight of 505.66 g/mol. Its IUPAC name is 4-[bis(2-methoxyethyl)sulfamoyl]-N-(3-ethyl-4,6-dimethyl-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

• Compound Name: 4-[bis(2-methoxyethyl)sulfamoyl]-N-(3-ethyl-4,6-dimethyl-1,3-benzothiazol-2-ylidene)benzamide
• PubChem CID: 4161990
• Molecular Formula: C24H31N3O5S2
• Molecular Weight: 505.66 g/mol
• Exact Mass: 505.17
• IUPAC Name: 4-[bis(2-methoxyethyl)sulfamoyl]-N-(3-ethyl-4,6-dimethyl-1,3-benzothiazol-2-ylidene)benzamide
• SMILES: CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(CCOC)CCOC)cc2)sc2cc(C)cc(C)c21
• InChI: InChI=1S/C24H31N3O5S2/c1-6-27-22-18(3)15-17(2)16-21(22)33-24(27)25-23(28)19-7-9-20(10-8-19)34(29,30)26(11-13-31-4)12-14-32-5/h7-10,15-16H,6,11-14H2,1-5H3/b25-24-
• InChIKey: ZSIUPKNJKNOQPK-IZHYLOQSSA-N
• XLogP: 3.36
• TPSA: 90.20 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.66
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 4-[bis(2-methoxyethyl)sulfamoyl]-N-(3-ethyl-4,6-dimethyl-1,3-benzothiazol-2-ylidene)benzamide (CID 4161990) is 4-[bis(2-methoxyethyl)sulfamoyl]-N-(3-ethyl-4,6-dimethyl-1,3-benzothiazol-2-ylidene)benzamide.

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

The canonical SMILES for 4-[bis(2-methoxyethyl)sulfamoyl]-N-(3-ethyl-4,6-dimethyl-1,3-benzothiazol-2-ylidene)benzamide is CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(CCOC)CCOC)cc2)sc2cc(C)cc(C)c21.

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

The InChIKey is ZSIUPKNJKNOQPK-IZHYLOQSSA-N. The full InChI is InChI=1S/C24H31N3O5S2/c1-6-27-22-18(3)15-17(2)16-21(22)33-24(27)25-23(28)19-7-9-20(10-8-19)34(29,30)26(11-13-31-4)12-14-32-5/h7-10,15-16H,6,11-14H2,1-5H3/b25-24-.

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

4-[bis(2-methoxyethyl)sulfamoyl]-N-(3-ethyl-4,6-dimethyl-1,3-benzothiazol-2-ylidene)benzamide has a molecular weight of 505.66 g/mol, XLogP of 3.36, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[bis(2-methoxyethyl)sulfamoyl]-N-(3-ethyl-4,6-dimethyl-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 4161990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).