4-(diethylsulfamoyl)-N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]benzamide

C23H29N3O4S2 — CID 40886331

About 4-(diethylsulfamoyl)-N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]benzamide

4-(diethylsulfamoyl)-N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]benzamide (PubChem CID 40886331) has the molecular formula C23H29N3O4S2 and a molecular weight of 475.64 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]benzamide.

Molecular Properties

• Compound Name: 4-(diethylsulfamoyl)-N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]benzamide
• PubChem CID: 40886331
• Molecular Formula: C23H29N3O4S2
• Molecular Weight: 475.64 g/mol
• Exact Mass: 475.16
• IUPAC Name: 4-(diethylsulfamoyl)-N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]benzamide
• SMILES: CCN(CC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3c(C)cc(C)cc3n2CCOC)cc1
• InChI: InChI=1S/C23H29N3O4S2/c1-6-25(7-2)32(28,29)19-10-8-18(9-11-19)22(27)24-23-26(12-13-30-5)20-15-16(3)14-17(4)21(20)31-23/h8-11,14-15H,6-7,12-13H2,1-5H3/b24-23-
• InChIKey: LMGOJFAHXYIHEL-VHXPQNKSSA-N
• XLogP: 3.74
• TPSA: 80.97 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.64
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]benzamide?

The IUPAC name of 4-(diethylsulfamoyl)-N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]benzamide (CID 40886331) is 4-(diethylsulfamoyl)-N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]benzamide.

What is the SMILES notation for 4-(diethylsulfamoyl)-N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]benzamide?

The canonical SMILES for 4-(diethylsulfamoyl)-N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3c(C)cc(C)cc3n2CCOC)cc1.

What is the InChIKey of 4-(diethylsulfamoyl)-N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]benzamide?

The InChIKey is LMGOJFAHXYIHEL-VHXPQNKSSA-N. The full InChI is InChI=1S/C23H29N3O4S2/c1-6-25(7-2)32(28,29)19-10-8-18(9-11-19)22(27)24-23-26(12-13-30-5)20-15-16(3)14-17(4)21(20)31-23/h8-11,14-15H,6-7,12-13H2,1-5H3/b24-23-.

What are the key properties of 4-(diethylsulfamoyl)-N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]benzamide?

4-(diethylsulfamoyl)-N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]benzamide has a molecular weight of 475.64 g/mol, XLogP of 3.74, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(diethylsulfamoyl)-N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]benzamide is sourced from PubChem (CID 40886331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).