4-(2-hydroxyethoxy)-N-[2-[3-hydroxy-4-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3-methoxybenzamide

C26H24N2O6S — CID 159547078

About 4-(2-hydroxyethoxy)-N-[2-[3-hydroxy-4-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3-methoxybenzamide

4-(2-hydroxyethoxy)-N-[2-[3-hydroxy-4-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3-methoxybenzamide (PubChem CID 159547078) has the molecular formula C26H24N2O6S and a molecular weight of 492.55 g/mol. Its IUPAC name is 4-(2-hydroxyethoxy)-N-[2-[3-hydroxy-4-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3-methoxybenzamide.

Molecular Properties

• Compound Name: 4-(2-hydroxyethoxy)-N-[2-[3-hydroxy-4-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3-methoxybenzamide
• PubChem CID: 159547078
• Molecular Formula: C26H24N2O6S
• Molecular Weight: 492.55 g/mol
• Exact Mass: 492.14
• IUPAC Name: 4-(2-hydroxyethoxy)-N-[2-[3-hydroxy-4-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3-methoxybenzamide
• SMILES: COc1cc(C(=O)NCC(=O)c2nccc(-c3csc4c(C)cccc34)c2O)ccc1OCCO
• InChI: InChI=1S/C26H24N2O6S/c1-15-4-3-5-18-19(14-35-25(15)18)17-8-9-27-23(24(17)31)20(30)13-28-26(32)16-6-7-21(34-11-10-29)22(12-16)33-2/h3-9,12,14,29,31H,10-11,13H2,1-2H3,(H,28,32)
• InChIKey: LMPWGVPFLHDZBM-UHFFFAOYSA-N
• XLogP: 3.97
• TPSA: 117.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.55
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethoxy)-N-[2-[3-hydroxy-4-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3-methoxybenzamide?

The IUPAC name of 4-(2-hydroxyethoxy)-N-[2-[3-hydroxy-4-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3-methoxybenzamide (CID 159547078) is 4-(2-hydroxyethoxy)-N-[2-[3-hydroxy-4-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3-methoxybenzamide.

What is the SMILES notation for 4-(2-hydroxyethoxy)-N-[2-[3-hydroxy-4-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3-methoxybenzamide?

The canonical SMILES for 4-(2-hydroxyethoxy)-N-[2-[3-hydroxy-4-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3-methoxybenzamide is COc1cc(C(=O)NCC(=O)c2nccc(-c3csc4c(C)cccc34)c2O)ccc1OCCO.

What is the InChIKey of 4-(2-hydroxyethoxy)-N-[2-[3-hydroxy-4-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3-methoxybenzamide?

The InChIKey is LMPWGVPFLHDZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O6S/c1-15-4-3-5-18-19(14-35-25(15)18)17-8-9-27-23(24(17)31)20(30)13-28-26(32)16-6-7-21(34-11-10-29)22(12-16)33-2/h3-9,12,14,29,31H,10-11,13H2,1-2H3,(H,28,32).

What are the key properties of 4-(2-hydroxyethoxy)-N-[2-[3-hydroxy-4-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3-methoxybenzamide?

4-(2-hydroxyethoxy)-N-[2-[3-hydroxy-4-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3-methoxybenzamide has a molecular weight of 492.55 g/mol, XLogP of 3.97, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-hydroxyethoxy)-N-[2-[3-hydroxy-4-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3-methoxybenzamide is sourced from PubChem (CID 159547078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).