N-[[4-[7-[2-fluoro-4-[3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-[2-(2-propoxyethoxy)ethyl]acetamide

C36H38FN3O6S — CID 58207659

About N-[[4-[7-[2-fluoro-4-[3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-[2-(2-propoxyethoxy)ethyl]acetamide

N-[[4-[7-[2-fluoro-4-[3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-[2-(2-propoxyethoxy)ethyl]acetamide (PubChem CID 58207659) has the molecular formula C36H38FN3O6S and a molecular weight of 659.78 g/mol. Its IUPAC name is N-[[4-[7-[2-fluoro-4-[3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-[2-(2-propoxyethoxy)ethyl]acetamide.

Molecular Properties

• Compound Name: N-[[4-[7-[2-fluoro-4-[3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-[2-(2-propoxyethoxy)ethyl]acetamide
• PubChem CID: 58207659
• Molecular Formula: C36H38FN3O6S
• Molecular Weight: 659.78 g/mol
• Exact Mass: 659.25
• IUPAC Name: N-[[4-[7-[2-fluoro-4-[3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-[2-(2-propoxyethoxy)ethyl]acetamide
• SMILES: CCCOCCOCCN(Cc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)Cc5cc(C)on5)cc4F)c3s2)cc1)C(C)=O
• InChI: InChI=1S/C36H38FN3O6S/c1-4-14-43-16-17-44-15-13-40(25(3)41)23-26-5-8-28(9-6-26)35-22-32-36(47-35)34(11-12-38-32)45-33-10-7-27(20-31(33)37)19-30(42)21-29-18-24(2)46-39-29/h5-12,18,20,22H,4,13-17,19,21,23H2,1-3H3
• InChIKey: ABHSHCOZKXAVJL-UHFFFAOYSA-N
• XLogP: 7.34
• TPSA: 103.99 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 17
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	659.78
LogP ≤ 5	7.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[4-[7-[2-fluoro-4-[3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-[2-(2-propoxyethoxy)ethyl]acetamide?

The IUPAC name of N-[[4-[7-[2-fluoro-4-[3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-[2-(2-propoxyethoxy)ethyl]acetamide (CID 58207659) is N-[[4-[7-[2-fluoro-4-[3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-[2-(2-propoxyethoxy)ethyl]acetamide.

What is the SMILES notation for N-[[4-[7-[2-fluoro-4-[3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-[2-(2-propoxyethoxy)ethyl]acetamide?

The canonical SMILES for N-[[4-[7-[2-fluoro-4-[3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-[2-(2-propoxyethoxy)ethyl]acetamide is CCCOCCOCCN(Cc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)Cc5cc(C)on5)cc4F)c3s2)cc1)C(C)=O.

What is the InChIKey of N-[[4-[7-[2-fluoro-4-[3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-[2-(2-propoxyethoxy)ethyl]acetamide?

The InChIKey is ABHSHCOZKXAVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H38FN3O6S/c1-4-14-43-16-17-44-15-13-40(25(3)41)23-26-5-8-28(9-6-26)35-22-32-36(47-35)34(11-12-38-32)45-33-10-7-27(20-31(33)37)19-30(42)21-29-18-24(2)46-39-29/h5-12,18,20,22H,4,13-17,19,21,23H2,1-3H3.

What are the key properties of N-[[4-[7-[2-fluoro-4-[3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-[2-(2-propoxyethoxy)ethyl]acetamide?

N-[[4-[7-[2-fluoro-4-[3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-[2-(2-propoxyethoxy)ethyl]acetamide has a molecular weight of 659.78 g/mol, XLogP of 7.34, 17 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[7-[2-fluoro-4-[3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridin-2-yl]phenyl]methyl]-N-[2-(2-propoxyethoxy)ethyl]acetamide is sourced from PubChem (CID 58207659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).