4-[butyl(ethyl)sulfamoyl]-N-(3-ethyl-4,6-dimethoxy-1,3-benzothiazol-2-ylidene)benzamide

C24H31N3O5S2 — CID 3540195

About 4-[butyl(ethyl)sulfamoyl]-N-(3-ethyl-4,6-dimethoxy-1,3-benzothiazol-2-ylidene)benzamide

4-[butyl(ethyl)sulfamoyl]-N-(3-ethyl-4,6-dimethoxy-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 3540195) has the molecular formula C24H31N3O5S2 and a molecular weight of 505.66 g/mol. Its IUPAC name is 4-[butyl(ethyl)sulfamoyl]-N-(3-ethyl-4,6-dimethoxy-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

• Compound Name: 4-[butyl(ethyl)sulfamoyl]-N-(3-ethyl-4,6-dimethoxy-1,3-benzothiazol-2-ylidene)benzamide
• PubChem CID: 3540195
• Molecular Formula: C24H31N3O5S2
• Molecular Weight: 505.66 g/mol
• Exact Mass: 505.17
• IUPAC Name: 4-[butyl(ethyl)sulfamoyl]-N-(3-ethyl-4,6-dimethoxy-1,3-benzothiazol-2-ylidene)benzamide
• SMILES: CCCCN(CC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(OC)cc(OC)c3n2CC)cc1
• InChI: InChI=1S/C24H31N3O5S2/c1-6-9-14-26(7-2)34(29,30)19-12-10-17(11-13-19)23(28)25-24-27(8-3)22-20(32-5)15-18(31-4)16-21(22)33-24/h10-13,15-16H,6-9,14H2,1-5H3/b25-24-
• InChIKey: GWAVHUJJYBFFNX-IZHYLOQSSA-N
• XLogP: 4.29
• 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	4.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 4-[butyl(ethyl)sulfamoyl]-N-(3-ethyl-4,6-dimethoxy-1,3-benzothiazol-2-ylidene)benzamide (CID 3540195) is 4-[butyl(ethyl)sulfamoyl]-N-(3-ethyl-4,6-dimethoxy-1,3-benzothiazol-2-ylidene)benzamide.

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

The canonical SMILES for 4-[butyl(ethyl)sulfamoyl]-N-(3-ethyl-4,6-dimethoxy-1,3-benzothiazol-2-ylidene)benzamide is CCCCN(CC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(OC)cc(OC)c3n2CC)cc1.

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

The InChIKey is GWAVHUJJYBFFNX-IZHYLOQSSA-N. The full InChI is InChI=1S/C24H31N3O5S2/c1-6-9-14-26(7-2)34(29,30)19-12-10-17(11-13-19)23(28)25-24-27(8-3)22-20(32-5)15-18(31-4)16-21(22)33-24/h10-13,15-16H,6-9,14H2,1-5H3/b25-24-.

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

4-[butyl(ethyl)sulfamoyl]-N-(3-ethyl-4,6-dimethoxy-1,3-benzothiazol-2-ylidene)benzamide has a molecular weight of 505.66 g/mol, XLogP of 4.29, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[butyl(ethyl)sulfamoyl]-N-(3-ethyl-4,6-dimethoxy-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 3540195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).