(E)-N-[3-[3-(phenylsulfamoyl)phenyl]propyl]-3-pyridin-3-ylprop-2-enamide

C₂₃H₂₃N₃O₃S — CID 155524021

About (E)-N-[3-[3-(phenylsulfamoyl)phenyl]propyl]-3-pyridin-3-ylprop-2-enamide

(E)-N-[3-[3-(phenylsulfamoyl)phenyl]propyl]-3-pyridin-3-ylprop-2-enamide (PubChem CID 155524021) has the molecular formula C₂₃H₂₃N₃O₃S and a molecular weight of 421.52 g/mol. Its IUPAC name is (E)-N-[3-[3-(phenylsulfamoyl)phenyl]propyl]-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

• Compound Name: (E)-N-[3-[3-(phenylsulfamoyl)phenyl]propyl]-3-pyridin-3-ylprop-2-enamide
• PubChem CID: 155524021
• Molecular Formula: C₂₃H₂₃N₃O₃S
• Molecular Weight: 421.52 g/mol
• Exact Mass: 421.15
• IUPAC Name: (E)-N-[3-[3-(phenylsulfamoyl)phenyl]propyl]-3-pyridin-3-ylprop-2-enamide
• SMILES: O=C(/C=C/c1cccnc1)NCCCc1cccc(S(=O)(=O)Nc2ccccc2)c1
• InChI: InChI=1S/C23H23N3O3S/c27-23(14-13-20-9-5-15-24-18-20)25-16-6-8-19-7-4-12-22(17-19)30(28,29)26-21-10-2-1-3-11-21/h1-5,7,9-15,17-18,26H,6,8,16H2,(H,25,27)/b14-13+
• InChIKey: UNRVPKQFXMBCQJ-BUHFOSPRSA-N
• XLogP: 3.64
• TPSA: 88.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.52
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-[3-(phenylsulfamoyl)phenyl]propyl]-3-pyridin-3-ylprop-2-enamide?

The IUPAC name of (E)-N-[3-[3-(phenylsulfamoyl)phenyl]propyl]-3-pyridin-3-ylprop-2-enamide (CID 155524021) is (E)-N-[3-[3-(phenylsulfamoyl)phenyl]propyl]-3-pyridin-3-ylprop-2-enamide.

What is the SMILES notation for (E)-N-[3-[3-(phenylsulfamoyl)phenyl]propyl]-3-pyridin-3-ylprop-2-enamide?

The canonical SMILES for (E)-N-[3-[3-(phenylsulfamoyl)phenyl]propyl]-3-pyridin-3-ylprop-2-enamide is O=C(/C=C/c1cccnc1)NCCCc1cccc(S(=O)(=O)Nc2ccccc2)c1.

What is the InChIKey of (E)-N-[3-[3-(phenylsulfamoyl)phenyl]propyl]-3-pyridin-3-ylprop-2-enamide?

The InChIKey is UNRVPKQFXMBCQJ-BUHFOSPRSA-N. The full InChI is InChI=1S/C23H23N3O3S/c27-23(14-13-20-9-5-15-24-18-20)25-16-6-8-19-7-4-12-22(17-19)30(28,29)26-21-10-2-1-3-11-21/h1-5,7,9-15,17-18,26H,6,8,16H2,(H,25,27)/b14-13+.

What are the key properties of (E)-N-[3-[3-(phenylsulfamoyl)phenyl]propyl]-3-pyridin-3-ylprop-2-enamide?

(E)-N-[3-[3-(phenylsulfamoyl)phenyl]propyl]-3-pyridin-3-ylprop-2-enamide has a molecular weight of 421.52 g/mol, XLogP of 3.64, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-N-[3-[3-(phenylsulfamoyl)phenyl]propyl]-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 155524021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155524021 — identifiers, structure, computed properties (public domain)

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