2-(2,6-diethyl-4-phenylpyridin-1-ium-1-yl)-N-(4-sulfamoylphenyl)acetamide

C23H26N3O3S+ — CID 10649727

IUPAC2-(2,6-diethyl-4-phenylpyridin-1-ium-1-yl)-N-(4-sulfamoylphenyl)acetamide
SMILESCCc1cc(-c2ccccc2)cc(CC)[n+]1CC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C23H25N3O3S/c1-3-20-14-18(17-8-6-5-7-9-17)15-21(4-2)26(20)16-23(27)25-19-10-12-22(13-11-19)30(24,28)29/h5-15H,3-4,16H2,1-2H3,(H2-,24,25,27,28,29)/p+1
InChIKeyLHFAXEAZYWUZOF-UHFFFAOYSA-O
MW424.55 g/mol
LogP3.05
Rot. Bonds7

About 2-(2,6-diethyl-4-phenylpyridin-1-ium-1-yl)-N-(4-sulfamoylphenyl)acetamide

2-(2,6-diethyl-4-phenylpyridin-1-ium-1-yl)-N-(4-sulfamoylphenyl)acetamide (PubChem CID 10649727) has the molecular formula C23H26N3O3S+ and a molecular weight of 424.55 g/mol. Its IUPAC name is 2-(2,6-diethyl-4-phenylpyridin-1-ium-1-yl)-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,6-diethyl-4-phenylpyridin-1-ium-1-yl)-N-(4-sulfamoylphenyl)acetamide
PubChem CID10649727
Molecular FormulaC23H26N3O3S+
Molecular Weight424.55 g/mol
Exact Mass424.17
IUPAC Name2-(2,6-diethyl-4-phenylpyridin-1-ium-1-yl)-N-(4-sulfamoylphenyl)acetamide
SMILESCCc1cc(-c2ccccc2)cc(CC)[n+]1CC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C23H25N3O3S/c1-3-20-14-18(17-8-6-5-7-9-17)15-21(4-2)26(20)16-23(27)25-19-10-12-22(13-11-19)30(24,28)29/h5-15H,3-4,16H2,1-2H3,(H2-,24,25,27,28,29)/p+1
InChIKeyLHFAXEAZYWUZOF-UHFFFAOYSA-O
XLogP3.05
TPSA93.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diethyl-4-phenylpyridin-1-ium-1-yl)-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-(2,6-diethyl-4-phenylpyridin-1-ium-1-yl)-N-(4-sulfamoylphenyl)acetamide (CID 10649727) is 2-(2,6-diethyl-4-phenylpyridin-1-ium-1-yl)-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-(2,6-diethyl-4-phenylpyridin-1-ium-1-yl)-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-(2,6-diethyl-4-phenylpyridin-1-ium-1-yl)-N-(4-sulfamoylphenyl)acetamide is CCc1cc(-c2ccccc2)cc(CC)[n+]1CC(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-(2,6-diethyl-4-phenylpyridin-1-ium-1-yl)-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is LHFAXEAZYWUZOF-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H25N3O3S/c1-3-20-14-18(17-8-6-5-7-9-17)15-21(4-2)26(20)16-23(27)25-19-10-12-22(13-11-19)30(24,28)29/h5-15H,3-4,16H2,1-2H3,(H2-,24,25,27,28,29)/p+1.
What are the key properties of 2-(2,6-diethyl-4-phenylpyridin-1-ium-1-yl)-N-(4-sulfamoylphenyl)acetamide?
2-(2,6-diethyl-4-phenylpyridin-1-ium-1-yl)-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 424.55 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-diethyl-4-phenylpyridin-1-ium-1-yl)-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 10649727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).