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

C25H33N3O3S2 — CID 43984160

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

4-[butyl(ethyl)sulfamoyl]-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 43984160) has the molecular formula C25H33N3O3S2 and a molecular weight of 487.69 g/mol. Its IUPAC name is 4-[butyl(ethyl)sulfamoyl]-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

• Compound Name: 4-[butyl(ethyl)sulfamoyl]-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
• PubChem CID: 43984160
• Molecular Formula: C25H33N3O3S2
• Molecular Weight: 487.69 g/mol
• Exact Mass: 487.20
• IUPAC Name: 4-[butyl(ethyl)sulfamoyl]-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
• SMILES: CCCCN(CC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(CC)ccc3n2CCC)cc1
• InChI: InChI=1S/C25H33N3O3S2/c1-5-9-17-27(8-4)33(30,31)21-13-11-20(12-14-21)24(29)26-25-28(16-6-2)22-15-10-19(7-3)18-23(22)32-25/h10-15,18H,5-9,16-17H2,1-4H3/b26-25-
• InChIKey: LIDWKMJFHBHKLZ-QPLCGJKRSA-N
• XLogP: 5.23
• TPSA: 71.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.69
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 4-[butyl(ethyl)sulfamoyl]-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide (CID 43984160) is 4-[butyl(ethyl)sulfamoyl]-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide.

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

The canonical SMILES for 4-[butyl(ethyl)sulfamoyl]-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide is CCCCN(CC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(CC)ccc3n2CCC)cc1.

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

The InChIKey is LIDWKMJFHBHKLZ-QPLCGJKRSA-N. The full InChI is InChI=1S/C25H33N3O3S2/c1-5-9-17-27(8-4)33(30,31)21-13-11-20(12-14-21)24(29)26-25-28(16-6-2)22-15-10-19(7-3)18-23(22)32-25/h10-15,18H,5-9,16-17H2,1-4H3/b26-25-.

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

4-[butyl(ethyl)sulfamoyl]-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide has a molecular weight of 487.69 g/mol, XLogP of 5.23, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[butyl(ethyl)sulfamoyl]-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 43984160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).