5,6-dimethoxy-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yl)ethoxy]-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide

C24H25N5O4S — CID 91031456

About 5,6-dimethoxy-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yl)ethoxy]-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide

5,6-dimethoxy-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yl)ethoxy]-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide (PubChem CID 91031456) has the molecular formula C24H25N5O4S and a molecular weight of 479.56 g/mol. Its IUPAC name is 5,6-dimethoxy-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yl)ethoxy]-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5,6-dimethoxy-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yl)ethoxy]-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
• PubChem CID: 91031456
• Molecular Formula: C24H25N5O4S
• Molecular Weight: 479.56 g/mol
• Exact Mass: 479.16
• IUPAC Name: 5,6-dimethoxy-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yl)ethoxy]-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
• SMILES: COc1cc2sc(C(=O)Nc3nn[nH]n3)c(OCCc3cccc4c3CCCC4)c2cc1OC
• InChI: InChI=1S/C24H25N5O4S/c1-31-18-12-17-20(13-19(18)32-2)34-22(23(30)25-24-26-28-29-27-24)21(17)33-11-10-15-8-5-7-14-6-3-4-9-16(14)15/h5,7-8,12-13H,3-4,6,9-11H2,1-2H3,(H2,25,26,27,28,29,30)
• InChIKey: GBGUMABJTPSBLE-UHFFFAOYSA-N
• XLogP: 4.18
• TPSA: 111.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.56
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yl)ethoxy]-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide?

The IUPAC name of 5,6-dimethoxy-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yl)ethoxy]-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide (CID 91031456) is 5,6-dimethoxy-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yl)ethoxy]-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide.

What is the SMILES notation for 5,6-dimethoxy-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yl)ethoxy]-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide?

The canonical SMILES for 5,6-dimethoxy-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yl)ethoxy]-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide is COc1cc2sc(C(=O)Nc3nn[nH]n3)c(OCCc3cccc4c3CCCC4)c2cc1OC.

What is the InChIKey of 5,6-dimethoxy-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yl)ethoxy]-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide?

The InChIKey is GBGUMABJTPSBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O4S/c1-31-18-12-17-20(13-19(18)32-2)34-22(23(30)25-24-26-28-29-27-24)21(17)33-11-10-15-8-5-7-14-6-3-4-9-16(14)15/h5,7-8,12-13H,3-4,6,9-11H2,1-2H3,(H2,25,26,27,28,29,30).

What are the key properties of 5,6-dimethoxy-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yl)ethoxy]-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide?

5,6-dimethoxy-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yl)ethoxy]-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide has a molecular weight of 479.56 g/mol, XLogP of 4.18, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5,6-dimethoxy-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yl)ethoxy]-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 91031456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).