7-methoxy-N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]-1-benzofuran-2-carboxamide

C22H22N2O4S — CID 40888935

About 7-methoxy-N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]-1-benzofuran-2-carboxamide

7-methoxy-N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]-1-benzofuran-2-carboxamide (PubChem CID 40888935) has the molecular formula C22H22N2O4S and a molecular weight of 410.50 g/mol. Its IUPAC name is 7-methoxy-N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: 7-methoxy-N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]-1-benzofuran-2-carboxamide
• PubChem CID: 40888935
• Molecular Formula: C22H22N2O4S
• Molecular Weight: 410.50 g/mol
• Exact Mass: 410.13
• IUPAC Name: 7-methoxy-N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]-1-benzofuran-2-carboxamide
• SMILES: COCCn1/c(=N/C(=O)c2cc3cccc(OC)c3o2)sc2c(C)cc(C)cc21
• InChI: InChI=1S/C22H22N2O4S/c1-13-10-14(2)20-16(11-13)24(8-9-26-3)22(29-20)23-21(25)18-12-15-6-5-7-17(27-4)19(15)28-18/h5-7,10-12H,8-9H2,1-4H3/b23-22-
• InChIKey: FQAHRDXCKFSLNW-FCQUAONHSA-N
• XLogP: 4.46
• TPSA: 65.96 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.50
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]-1-benzofuran-2-carboxamide?

The IUPAC name of 7-methoxy-N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]-1-benzofuran-2-carboxamide (CID 40888935) is 7-methoxy-N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]-1-benzofuran-2-carboxamide.

What is the SMILES notation for 7-methoxy-N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]-1-benzofuran-2-carboxamide?

The canonical SMILES for 7-methoxy-N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]-1-benzofuran-2-carboxamide is COCCn1/c(=N/C(=O)c2cc3cccc(OC)c3o2)sc2c(C)cc(C)cc21.

What is the InChIKey of 7-methoxy-N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]-1-benzofuran-2-carboxamide?

The InChIKey is FQAHRDXCKFSLNW-FCQUAONHSA-N. The full InChI is InChI=1S/C22H22N2O4S/c1-13-10-14(2)20-16(11-13)24(8-9-26-3)22(29-20)23-21(25)18-12-15-6-5-7-17(27-4)19(15)28-18/h5-7,10-12H,8-9H2,1-4H3/b23-22-.

What are the key properties of 7-methoxy-N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]-1-benzofuran-2-carboxamide?

7-methoxy-N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]-1-benzofuran-2-carboxamide has a molecular weight of 410.50 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-methoxy-N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 40888935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).