N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide

C23H23N3O4S2 — CID 43947597

About N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide

N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide (PubChem CID 43947597) has the molecular formula C23H23N3O4S2 and a molecular weight of 469.59 g/mol. Its IUPAC name is N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide.

Molecular Properties

• Compound Name: N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide
• PubChem CID: 43947597
• Molecular Formula: C23H23N3O4S2
• Molecular Weight: 469.59 g/mol
• Exact Mass: 469.11
• IUPAC Name: N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide
• SMILES: CCc1cccc2s/c(=N\C(=O)c3ccc(S(=O)(=O)N(C)Cc4ccco4)cc3)n(C)c12
• InChI: InChI=1S/C23H23N3O4S2/c1-4-16-7-5-9-20-21(16)26(3)23(31-20)24-22(27)17-10-12-19(13-11-17)32(28,29)25(2)15-18-8-6-14-30-18/h5-14H,4,15H2,1-3H3/b24-23-
• InChIKey: WMBOJHLQGVQUBL-VHXPQNKSSA-N
• XLogP: 3.96
• TPSA: 84.88 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.59
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide?

The IUPAC name of N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide (CID 43947597) is N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide.

What is the SMILES notation for N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide?

The canonical SMILES for N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide is CCc1cccc2s/c(=N\C(=O)c3ccc(S(=O)(=O)N(C)Cc4ccco4)cc3)n(C)c12.

What is the InChIKey of N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide?

The InChIKey is WMBOJHLQGVQUBL-VHXPQNKSSA-N. The full InChI is InChI=1S/C23H23N3O4S2/c1-4-16-7-5-9-20-21(16)26(3)23(31-20)24-22(27)17-10-12-19(13-11-17)32(28,29)25(2)15-18-8-6-14-30-18/h5-14H,4,15H2,1-3H3/b24-23-.

What are the key properties of N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide?

N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide has a molecular weight of 469.59 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide is sourced from PubChem (CID 43947597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).