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

C24H25N3O4S2 — CID 43947598

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

N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide (PubChem CID 43947598) has the molecular formula C24H25N3O4S2 and a molecular weight of 483.62 g/mol. Its IUPAC name is N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide.

Molecular Properties

• Compound Name: N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide
• PubChem CID: 43947598
• Molecular Formula: C24H25N3O4S2
• Molecular Weight: 483.62 g/mol
• Exact Mass: 483.13
• IUPAC Name: N-(3,4-diethyl-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(CC)c12
• InChI: InChI=1S/C24H25N3O4S2/c1-4-17-8-6-10-21-22(17)27(5-2)24(32-21)25-23(28)18-11-13-20(14-12-18)33(29,30)26(3)16-19-9-7-15-31-19/h6-15H,4-5,16H2,1-3H3/b25-24-
• InChIKey: IBTIPDNBERIVQC-IZHYLOQSSA-N
• XLogP: 4.44
• TPSA: 84.88 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.62
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide (CID 43947598) is N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide.

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

The canonical SMILES for N-(3,4-diethyl-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(CC)c12.

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

The InChIKey is IBTIPDNBERIVQC-IZHYLOQSSA-N. The full InChI is InChI=1S/C24H25N3O4S2/c1-4-17-8-6-10-21-22(17)27(5-2)24(32-21)25-23(28)18-11-13-20(14-12-18)33(29,30)26(3)16-19-9-7-15-31-19/h6-15H,4-5,16H2,1-3H3/b25-24-.

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

N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide has a molecular weight of 483.62 g/mol, XLogP of 4.44, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide is sourced from PubChem (CID 43947598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).