7'-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-3'-methyl-2'-(1,3-oxazol-2-yl)-4',6'-dioxo-N-[(2S)-3-oxobutan-2-yl]spiro[cyclobutane-3,5'-thieno[2,3-b]pyridine]-1-carboxamide

C33H37N3O8S — CID 163424856

About 7'-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-3'-methyl-2'-(1,3-oxazol-2-yl)-4',6'-dioxo-N-[(2S)-3-oxobutan-2-yl]spiro[cyclobutane-3,5'-thieno[2,3-b]pyridine]-1-carboxamide

7'-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-3'-methyl-2'-(1,3-oxazol-2-yl)-4',6'-dioxo-N-[(2S)-3-oxobutan-2-yl]spiro[cyclobutane-3,5'-thieno[2,3-b]pyridine]-1-carboxamide (PubChem CID 163424856) has the molecular formula C33H37N3O8S and a molecular weight of 635.74 g/mol. Its IUPAC name is 7'-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-3'-methyl-2'-(1,3-oxazol-2-yl)-4',6'-dioxo-N-[(2S)-3-oxobutan-2-yl]spiro[cyclobutane-3,5'-thieno[2,3-b]pyridine]-1-carboxamide.

Molecular Properties

• Compound Name: 7'-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-3'-methyl-2'-(1,3-oxazol-2-yl)-4',6'-dioxo-N-[(2S)-3-oxobutan-2-yl]spiro[cyclobutane-3,5'-thieno[2,3-b]pyridine]-1-carboxamide
• PubChem CID: 163424856
• Molecular Formula: C33H37N3O8S
• Molecular Weight: 635.74 g/mol
• Exact Mass: 635.23
• IUPAC Name: 7'-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-3'-methyl-2'-(1,3-oxazol-2-yl)-4',6'-dioxo-N-[(2S)-3-oxobutan-2-yl]spiro[cyclobutane-3,5'-thieno[2,3-b]pyridine]-1-carboxamide
• SMILES: COc1ccccc1[C@H](CN1C(=O)C2(CC(C(=O)N[C@@H](C)C(C)=O)C2)C(=O)c2c1sc(-c1ncco1)c2C)OC1CCOCC1
• InChI: InChI=1S/C33H37N3O8S/c1-18-26-28(38)33(15-21(16-33)29(39)35-19(2)20(3)37)32(40)36(31(26)45-27(18)30-34-11-14-43-30)17-25(44-22-9-12-42-13-10-22)23-7-5-6-8-24(23)41-4/h5-8,11,14,19,21-22,25H,9-10,12-13,15-17H2,1-4H3,(H,35,39)/t19-,21?,25-,33?/m0/s1
• InChIKey: SOARJGZTIMAVNJ-CAHDVWQRSA-N
• XLogP: 4.68
• TPSA: 137.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	635.74
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7'-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-3'-methyl-2'-(1,3-oxazol-2-yl)-4',6'-dioxo-N-[(2S)-3-oxobutan-2-yl]spiro[cyclobutane-3,5'-thieno[2,3-b]pyridine]-1-carboxamide?

The IUPAC name of 7'-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-3'-methyl-2'-(1,3-oxazol-2-yl)-4',6'-dioxo-N-[(2S)-3-oxobutan-2-yl]spiro[cyclobutane-3,5'-thieno[2,3-b]pyridine]-1-carboxamide (CID 163424856) is 7'-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-3'-methyl-2'-(1,3-oxazol-2-yl)-4',6'-dioxo-N-[(2S)-3-oxobutan-2-yl]spiro[cyclobutane-3,5'-thieno[2,3-b]pyridine]-1-carboxamide.

What is the SMILES notation for 7'-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-3'-methyl-2'-(1,3-oxazol-2-yl)-4',6'-dioxo-N-[(2S)-3-oxobutan-2-yl]spiro[cyclobutane-3,5'-thieno[2,3-b]pyridine]-1-carboxamide?

The canonical SMILES for 7'-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-3'-methyl-2'-(1,3-oxazol-2-yl)-4',6'-dioxo-N-[(2S)-3-oxobutan-2-yl]spiro[cyclobutane-3,5'-thieno[2,3-b]pyridine]-1-carboxamide is COc1ccccc1[C@H](CN1C(=O)C2(CC(C(=O)N[C@@H](C)C(C)=O)C2)C(=O)c2c1sc(-c1ncco1)c2C)OC1CCOCC1.

What is the InChIKey of 7'-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-3'-methyl-2'-(1,3-oxazol-2-yl)-4',6'-dioxo-N-[(2S)-3-oxobutan-2-yl]spiro[cyclobutane-3,5'-thieno[2,3-b]pyridine]-1-carboxamide?

The InChIKey is SOARJGZTIMAVNJ-CAHDVWQRSA-N. The full InChI is InChI=1S/C33H37N3O8S/c1-18-26-28(38)33(15-21(16-33)29(39)35-19(2)20(3)37)32(40)36(31(26)45-27(18)30-34-11-14-43-30)17-25(44-22-9-12-42-13-10-22)23-7-5-6-8-24(23)41-4/h5-8,11,14,19,21-22,25H,9-10,12-13,15-17H2,1-4H3,(H,35,39)/t19-,21?,25-,33?/m0/s1.

What are the key properties of 7'-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-3'-methyl-2'-(1,3-oxazol-2-yl)-4',6'-dioxo-N-[(2S)-3-oxobutan-2-yl]spiro[cyclobutane-3,5'-thieno[2,3-b]pyridine]-1-carboxamide?

7'-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-3'-methyl-2'-(1,3-oxazol-2-yl)-4',6'-dioxo-N-[(2S)-3-oxobutan-2-yl]spiro[cyclobutane-3,5'-thieno[2,3-b]pyridine]-1-carboxamide has a molecular weight of 635.74 g/mol, XLogP of 4.68, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 7'-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-3'-methyl-2'-(1,3-oxazol-2-yl)-4',6'-dioxo-N-[(2S)-3-oxobutan-2-yl]spiro[cyclobutane-3,5'-thieno[2,3-b]pyridine]-1-carboxamide is sourced from PubChem (CID 163424856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).