N-(4-acetylphenyl)sulfonyl-3-pyridin-4-ylbut-2-enamide

C17H16N2O4S — CID 126816784

IUPACN-(4-acetylphenyl)sulfonyl-3-pyridin-4-ylbut-2-enamide
SMILESCC(=O)c1ccc(S(=O)(=O)NC(=O)C=C(C)c2ccncc2)cc1
InChIInChI=1S/C17H16N2O4S/c1-12(14-7-9-18-10-8-14)11-17(21)19-24(22,23)16-5-3-15(4-6-16)13(2)20/h3-11H,1-2H3,(H,19,21)
InChIKeyKEBUFHLQQWLGMD-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.19
Rot. Bonds5

About N-(4-acetylphenyl)sulfonyl-3-pyridin-4-ylbut-2-enamide

N-(4-acetylphenyl)sulfonyl-3-pyridin-4-ylbut-2-enamide (PubChem CID 126816784) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is N-(4-acetylphenyl)sulfonyl-3-pyridin-4-ylbut-2-enamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)sulfonyl-3-pyridin-4-ylbut-2-enamide
PubChem CID126816784
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC NameN-(4-acetylphenyl)sulfonyl-3-pyridin-4-ylbut-2-enamide
SMILESCC(=O)c1ccc(S(=O)(=O)NC(=O)C=C(C)c2ccncc2)cc1
InChIInChI=1S/C17H16N2O4S/c1-12(14-7-9-18-10-8-14)11-17(21)19-24(22,23)16-5-3-15(4-6-16)13(2)20/h3-11H,1-2H3,(H,19,21)
InChIKeyKEBUFHLQQWLGMD-UHFFFAOYSA-N
XLogP2.19
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-pyridin-4-yl-N-[1-(4-sulfamoylphenyl)ethyl]but-2-enamide
CID 132984944
methyl 3-pyridin-4-ylbut-2-enoate
CID 134690655
4-acetyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 63670374
4-acetyl-N-[4-bromo-2-(pyridine-4-carbonyl)phenyl]benzenesulfonamide
CID 10434326
2-[(4-acetylphenyl)sulfonylamino]oxyacetic acid
CID 60661455
N-(4-acetamidophenyl)sulfonyl-3-methylbut-2-enamide
CID 47232028
4-acetyl-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
CID 103862771
(E)-N-(4-acetylphenyl)sulfonyl-3-(3-chlorophenyl)prop-2-enamide
CID 55362067
4-acetyl-N-pyrimidin-5-ylbenzenesulfonamide
CID 104856664
4-acetyl-N-pyridin-3-ylbenzenesulfonamide
CID 22750329
butane;1-pyridin-4-ylethanone
CID 174655632
4-acetyl-N-ethoxybenzenesulfonamide
CID 60700500

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)sulfonyl-3-pyridin-4-ylbut-2-enamide?
The IUPAC name of N-(4-acetylphenyl)sulfonyl-3-pyridin-4-ylbut-2-enamide (CID 126816784) is N-(4-acetylphenyl)sulfonyl-3-pyridin-4-ylbut-2-enamide.
What is the SMILES notation for N-(4-acetylphenyl)sulfonyl-3-pyridin-4-ylbut-2-enamide?
The canonical SMILES for N-(4-acetylphenyl)sulfonyl-3-pyridin-4-ylbut-2-enamide is CC(=O)c1ccc(S(=O)(=O)NC(=O)C=C(C)c2ccncc2)cc1.
What is the InChIKey of N-(4-acetylphenyl)sulfonyl-3-pyridin-4-ylbut-2-enamide?
The InChIKey is KEBUFHLQQWLGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-12(14-7-9-18-10-8-14)11-17(21)19-24(22,23)16-5-3-15(4-6-16)13(2)20/h3-11H,1-2H3,(H,19,21).
What are the key properties of N-(4-acetylphenyl)sulfonyl-3-pyridin-4-ylbut-2-enamide?
N-(4-acetylphenyl)sulfonyl-3-pyridin-4-ylbut-2-enamide has a molecular weight of 344.39 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)sulfonyl-3-pyridin-4-ylbut-2-enamide is sourced from PubChem (CID 126816784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).