N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3,4,5-triethoxy-N-(furan-2-ylmethyl)benzamide

C27H30N2O7S — CID 30710834

About N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3,4,5-triethoxy-N-(furan-2-ylmethyl)benzamide

N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3,4,5-triethoxy-N-(furan-2-ylmethyl)benzamide (PubChem CID 30710834) has the molecular formula C27H30N2O7S and a molecular weight of 526.61 g/mol. Its IUPAC name is N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3,4,5-triethoxy-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

• Compound Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3,4,5-triethoxy-N-(furan-2-ylmethyl)benzamide
• PubChem CID: 30710834
• Molecular Formula: C27H30N2O7S
• Molecular Weight: 526.61 g/mol
• Exact Mass: 526.18
• IUPAC Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3,4,5-triethoxy-N-(furan-2-ylmethyl)benzamide
• SMILES: CCOc1cc(C(=O)N(Cc2ccco2)c2nc3c(OC)ccc(OC)c3s2)cc(OCC)c1OCC
• InChI: InChI=1S/C27H30N2O7S/c1-6-33-21-14-17(15-22(34-7-2)24(21)35-8-3)26(30)29(16-18-10-9-13-36-18)27-28-23-19(31-4)11-12-20(32-5)25(23)37-27/h9-15H,6-8,16H2,1-5H3
• InChIKey: RWCOKJCNJHJEKD-UHFFFAOYSA-N
• XLogP: 5.95
• TPSA: 92.49 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.61
LogP ≤ 5	5.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3,4,5-triethoxy-N-(furan-2-ylmethyl)benzamide?

The IUPAC name of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3,4,5-triethoxy-N-(furan-2-ylmethyl)benzamide (CID 30710834) is N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3,4,5-triethoxy-N-(furan-2-ylmethyl)benzamide.

What is the SMILES notation for N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3,4,5-triethoxy-N-(furan-2-ylmethyl)benzamide?

The canonical SMILES for N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3,4,5-triethoxy-N-(furan-2-ylmethyl)benzamide is CCOc1cc(C(=O)N(Cc2ccco2)c2nc3c(OC)ccc(OC)c3s2)cc(OCC)c1OCC.

What is the InChIKey of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3,4,5-triethoxy-N-(furan-2-ylmethyl)benzamide?

The InChIKey is RWCOKJCNJHJEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O7S/c1-6-33-21-14-17(15-22(34-7-2)24(21)35-8-3)26(30)29(16-18-10-9-13-36-18)27-28-23-19(31-4)11-12-20(32-5)25(23)37-27/h9-15H,6-8,16H2,1-5H3.

What are the key properties of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3,4,5-triethoxy-N-(furan-2-ylmethyl)benzamide?

N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3,4,5-triethoxy-N-(furan-2-ylmethyl)benzamide has a molecular weight of 526.61 g/mol, XLogP of 5.95, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3,4,5-triethoxy-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 30710834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).