N'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(2-morpholin-4-ylethyl)oxamide

C₂₀H₂₅N₃O₆S — CID 92693498

About N'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(2-morpholin-4-ylethyl)oxamide

N'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(2-morpholin-4-ylethyl)oxamide (PubChem CID 92693498) has the molecular formula C₂₀H₂₅N₃O₆S and a molecular weight of 435.50 g/mol. Its IUPAC name is N'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(2-morpholin-4-ylethyl)oxamide.

Molecular Properties

• Compound Name: N'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(2-morpholin-4-ylethyl)oxamide
• PubChem CID: 92693498
• Molecular Formula: C₂₀H₂₅N₃O₆S
• Molecular Weight: 435.50 g/mol
• Exact Mass: 435.15
• IUPAC Name: N'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(2-morpholin-4-ylethyl)oxamide
• SMILES: O=C(NCCN1CCOCC1)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1ccccc1
• InChI: InChI=1S/C20H25N3O6S/c24-19(21-8-9-23-10-13-28-14-11-23)20(25)22-15-18(17-7-4-12-29-17)30(26,27)16-5-2-1-3-6-16/h1-7,12,18H,8-11,13-15H2,(H,21,24)(H,22,25)/t18-/m0/s1
• InChIKey: KZFHSQIPTZNXMV-SFHVURJKSA-N
• XLogP: 0.36
• TPSA: 117.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.50
LogP ≤ 5	0.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(2-morpholin-4-ylethyl)oxamide?

The IUPAC name of N'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(2-morpholin-4-ylethyl)oxamide (CID 92693498) is N'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(2-morpholin-4-ylethyl)oxamide.

What is the SMILES notation for N'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(2-morpholin-4-ylethyl)oxamide?

The canonical SMILES for N'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(2-morpholin-4-ylethyl)oxamide is O=C(NCCN1CCOCC1)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1ccccc1.

What is the InChIKey of N'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(2-morpholin-4-ylethyl)oxamide?

The InChIKey is KZFHSQIPTZNXMV-SFHVURJKSA-N. The full InChI is InChI=1S/C20H25N3O6S/c24-19(21-8-9-23-10-13-28-14-11-23)20(25)22-15-18(17-7-4-12-29-17)30(26,27)16-5-2-1-3-6-16/h1-7,12,18H,8-11,13-15H2,(H,21,24)(H,22,25)/t18-/m0/s1.

What are the key properties of N'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(2-morpholin-4-ylethyl)oxamide?

N'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(2-morpholin-4-ylethyl)oxamide has a molecular weight of 435.50 g/mol, XLogP of 0.36, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-(2-morpholin-4-ylethyl)oxamide is sourced from PubChem (CID 92693498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 92693498 — identifiers, structure, computed properties (public domain)

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