N-[5-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-4,6-dioxothieno[3,4-c]pyrrol-3-yl]propanamide

C20H23N3O7S2 — CID 156838524

About N-[5-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-4,6-dioxothieno[3,4-c]pyrrol-3-yl]propanamide

N-[5-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-4,6-dioxothieno[3,4-c]pyrrol-3-yl]propanamide (PubChem CID 156838524) has the molecular formula C20H23N3O7S2 and a molecular weight of 481.55 g/mol. Its IUPAC name is N-[5-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-4,6-dioxothieno[3,4-c]pyrrol-3-yl]propanamide.

Molecular Properties

• Compound Name: N-[5-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-4,6-dioxothieno[3,4-c]pyrrol-3-yl]propanamide
• PubChem CID: 156838524
• Molecular Formula: C20H23N3O7S2
• Molecular Weight: 481.55 g/mol
• Exact Mass: 481.10
• IUPAC Name: N-[5-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-4,6-dioxothieno[3,4-c]pyrrol-3-yl]propanamide
• SMILES: CCOc1nc([C@@H](CS(C)(=O)=O)N2C(=O)c3csc(NC(=O)CC)c3C2=O)ccc1OC
• InChI: InChI=1S/C20H23N3O7S2/c1-5-15(24)22-18-16-11(9-31-18)19(25)23(20(16)26)13(10-32(4,27)28)12-7-8-14(29-3)17(21-12)30-6-2/h7-9,13H,5-6,10H2,1-4H3,(H,22,24)/t13-/m1/s1
• InChIKey: YNEPHVSPXYHZEZ-CYBMUJFWSA-N
• XLogP: 2.28
• TPSA: 131.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.55
LogP ≤ 5	2.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-4,6-dioxothieno[3,4-c]pyrrol-3-yl]propanamide?

The IUPAC name of N-[5-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-4,6-dioxothieno[3,4-c]pyrrol-3-yl]propanamide (CID 156838524) is N-[5-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-4,6-dioxothieno[3,4-c]pyrrol-3-yl]propanamide.

What is the SMILES notation for N-[5-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-4,6-dioxothieno[3,4-c]pyrrol-3-yl]propanamide?

The canonical SMILES for N-[5-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-4,6-dioxothieno[3,4-c]pyrrol-3-yl]propanamide is CCOc1nc([C@@H](CS(C)(=O)=O)N2C(=O)c3csc(NC(=O)CC)c3C2=O)ccc1OC.

What is the InChIKey of N-[5-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-4,6-dioxothieno[3,4-c]pyrrol-3-yl]propanamide?

The InChIKey is YNEPHVSPXYHZEZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H23N3O7S2/c1-5-15(24)22-18-16-11(9-31-18)19(25)23(20(16)26)13(10-32(4,27)28)12-7-8-14(29-3)17(21-12)30-6-2/h7-9,13H,5-6,10H2,1-4H3,(H,22,24)/t13-/m1/s1.

What are the key properties of N-[5-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-4,6-dioxothieno[3,4-c]pyrrol-3-yl]propanamide?

N-[5-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-4,6-dioxothieno[3,4-c]pyrrol-3-yl]propanamide has a molecular weight of 481.55 g/mol, XLogP of 2.28, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-4,6-dioxothieno[3,4-c]pyrrol-3-yl]propanamide is sourced from PubChem (CID 156838524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).