N-(furan-2-ylmethyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide

C24H25N3O5S2 — CID 44993545

About N-(furan-2-ylmethyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide

N-(furan-2-ylmethyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide (PubChem CID 44993545) has the molecular formula C24H25N3O5S2 and a molecular weight of 499.61 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide.

Molecular Properties

• Compound Name: N-(furan-2-ylmethyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
• PubChem CID: 44993545
• Molecular Formula: C24H25N3O5S2
• Molecular Weight: 499.61 g/mol
• Exact Mass: 499.12
• IUPAC Name: N-(furan-2-ylmethyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
• SMILES: COc1cccc2sc(N(Cc3ccco3)C(=O)c3ccc(S(=O)(=O)N(C)C(C)C)cc3)nc12
• InChI: InChI=1S/C24H25N3O5S2/c1-16(2)26(3)34(29,30)19-12-10-17(11-13-19)23(28)27(15-18-7-6-14-32-18)24-25-22-20(31-4)8-5-9-21(22)33-24/h5-14,16H,15H2,1-4H3
• InChIKey: BLYRGCDQPLMCIO-UHFFFAOYSA-N
• XLogP: 4.77
• TPSA: 92.95 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.61
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-(furan-2-ylmethyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide (CID 44993545) is N-(furan-2-ylmethyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide.

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

The canonical SMILES for N-(furan-2-ylmethyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide is COc1cccc2sc(N(Cc3ccco3)C(=O)c3ccc(S(=O)(=O)N(C)C(C)C)cc3)nc12.

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

The InChIKey is BLYRGCDQPLMCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5S2/c1-16(2)26(3)34(29,30)19-12-10-17(11-13-19)23(28)27(15-18-7-6-14-32-18)24-25-22-20(31-4)8-5-9-21(22)33-24/h5-14,16H,15H2,1-4H3.

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

N-(furan-2-ylmethyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide has a molecular weight of 499.61 g/mol, XLogP of 4.77, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(furan-2-ylmethyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide is sourced from PubChem (CID 44993545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).