2-[(4-acetylphenyl)sulfonyl-methylamino]-N-phenyl-N-prop-2-enylacetamide

C₂₀H₂₂N₂O₄S — CID 55551169

About 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-phenyl-N-prop-2-enylacetamide

2-[(4-acetylphenyl)sulfonyl-methylamino]-N-phenyl-N-prop-2-enylacetamide (PubChem CID 55551169) has the molecular formula C₂₀H₂₂N₂O₄S and a molecular weight of 386.47 g/mol. Its IUPAC name is 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-phenyl-N-prop-2-enylacetamide.

Molecular Properties

• Compound Name: 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-phenyl-N-prop-2-enylacetamide
• PubChem CID: 55551169
• Molecular Formula: C₂₀H₂₂N₂O₄S
• Molecular Weight: 386.47 g/mol
• Exact Mass: 386.13
• IUPAC Name: 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-phenyl-N-prop-2-enylacetamide
• SMILES: C=CCN(C(=O)CN(C)S(=O)(=O)c1ccc(C(C)=O)cc1)c1ccccc1
• InChI: InChI=1S/C20H22N2O4S/c1-4-14-22(18-8-6-5-7-9-18)20(24)15-21(3)27(25,26)19-12-10-17(11-13-19)16(2)23/h4-13H,1,14-15H2,2-3H3
• InChIKey: FCJRMZAAGZHVPP-UHFFFAOYSA-N
• XLogP: 2.73
• TPSA: 74.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.47
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-phenyl-N-prop-2-enylacetamide?

The IUPAC name of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-phenyl-N-prop-2-enylacetamide (CID 55551169) is 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-phenyl-N-prop-2-enylacetamide.

What is the SMILES notation for 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-phenyl-N-prop-2-enylacetamide?

The canonical SMILES for 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-phenyl-N-prop-2-enylacetamide is C=CCN(C(=O)CN(C)S(=O)(=O)c1ccc(C(C)=O)cc1)c1ccccc1.

What is the InChIKey of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-phenyl-N-prop-2-enylacetamide?

The InChIKey is FCJRMZAAGZHVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-4-14-22(18-8-6-5-7-9-18)20(24)15-21(3)27(25,26)19-12-10-17(11-13-19)16(2)23/h4-13H,1,14-15H2,2-3H3.

What are the key properties of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-phenyl-N-prop-2-enylacetamide?

2-[(4-acetylphenyl)sulfonyl-methylamino]-N-phenyl-N-prop-2-enylacetamide has a molecular weight of 386.47 g/mol, XLogP of 2.73, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-phenyl-N-prop-2-enylacetamide is sourced from PubChem (CID 55551169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 55551169 — identifiers, structure, computed properties (public domain)

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