4-(2-hydroxyethoxy)-3-methoxy-N-[(2R)-1-[5-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-1-oxopropan-2-yl]benzamide

C28H28N2O6S — CID 161012811

About 4-(2-hydroxyethoxy)-3-methoxy-N-[(2R)-1-[5-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-1-oxopropan-2-yl]benzamide

4-(2-hydroxyethoxy)-3-methoxy-N-[(2R)-1-[5-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-1-oxopropan-2-yl]benzamide (PubChem CID 161012811) has the molecular formula C28H28N2O6S and a molecular weight of 520.61 g/mol. Its IUPAC name is 4-(2-hydroxyethoxy)-3-methoxy-N-[(2R)-1-[5-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-1-oxopropan-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-(2-hydroxyethoxy)-3-methoxy-N-[(2R)-1-[5-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-1-oxopropan-2-yl]benzamide
• PubChem CID: 161012811
• Molecular Formula: C28H28N2O6S
• Molecular Weight: 520.61 g/mol
• Exact Mass: 520.17
• IUPAC Name: 4-(2-hydroxyethoxy)-3-methoxy-N-[(2R)-1-[5-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-1-oxopropan-2-yl]benzamide
• SMILES: COc1cc(C(=O)N[C@H](C)C(=O)c2ccc(OC)c(-c3csc4c(C)cccc34)n2)ccc1OCCO
• InChI: InChI=1S/C28H28N2O6S/c1-16-6-5-7-19-20(15-37-27(16)19)25-23(34-3)11-9-21(30-25)26(32)17(2)29-28(33)18-8-10-22(36-13-12-31)24(14-18)35-4/h5-11,14-15,17,31H,12-13H2,1-4H3,(H,29,33)/t17-/m1/s1
• InChIKey: QLPWHHRLBNONRE-QGZVFWFLSA-N
• XLogP: 4.66
• TPSA: 106.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.61
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethoxy)-3-methoxy-N-[(2R)-1-[5-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-1-oxopropan-2-yl]benzamide?

The IUPAC name of 4-(2-hydroxyethoxy)-3-methoxy-N-[(2R)-1-[5-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-1-oxopropan-2-yl]benzamide (CID 161012811) is 4-(2-hydroxyethoxy)-3-methoxy-N-[(2R)-1-[5-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-1-oxopropan-2-yl]benzamide.

What is the SMILES notation for 4-(2-hydroxyethoxy)-3-methoxy-N-[(2R)-1-[5-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-1-oxopropan-2-yl]benzamide?

The canonical SMILES for 4-(2-hydroxyethoxy)-3-methoxy-N-[(2R)-1-[5-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-1-oxopropan-2-yl]benzamide is COc1cc(C(=O)N[C@H](C)C(=O)c2ccc(OC)c(-c3csc4c(C)cccc34)n2)ccc1OCCO.

What is the InChIKey of 4-(2-hydroxyethoxy)-3-methoxy-N-[(2R)-1-[5-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-1-oxopropan-2-yl]benzamide?

The InChIKey is QLPWHHRLBNONRE-QGZVFWFLSA-N. The full InChI is InChI=1S/C28H28N2O6S/c1-16-6-5-7-19-20(15-37-27(16)19)25-23(34-3)11-9-21(30-25)26(32)17(2)29-28(33)18-8-10-22(36-13-12-31)24(14-18)35-4/h5-11,14-15,17,31H,12-13H2,1-4H3,(H,29,33)/t17-/m1/s1.

What are the key properties of 4-(2-hydroxyethoxy)-3-methoxy-N-[(2R)-1-[5-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-1-oxopropan-2-yl]benzamide?

4-(2-hydroxyethoxy)-3-methoxy-N-[(2R)-1-[5-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-1-oxopropan-2-yl]benzamide has a molecular weight of 520.61 g/mol, XLogP of 4.66, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-hydroxyethoxy)-3-methoxy-N-[(2R)-1-[5-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 161012811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).