(E)-3-pyridin-4-yl-N-[1-(4-sulfamoylphenyl)ethyl]but-2-enamide

C17H19N3O3S — CID 132984944

IUPAC(E)-3-pyridin-4-yl-N-[1-(4-sulfamoylphenyl)ethyl]but-2-enamide
SMILESC/C(=C\C(=O)NC(C)c1ccc(S(N)(=O)=O)cc1)c1ccncc1
InChIInChI=1S/C17H19N3O3S/c1-12(14-7-9-19-10-8-14)11-17(21)20-13(2)15-3-5-16(6-4-15)24(18,22)23/h3-11,13H,1-2H3,(H,20,21)(H2,18,22,23)/b12-11+
InChIKeyAFFAFMFIZVABPI-VAWYXSNFSA-N
MW345.42 g/mol
LogP2.01
Rot. Bonds5

About (E)-3-pyridin-4-yl-N-[1-(4-sulfamoylphenyl)ethyl]but-2-enamide

(E)-3-pyridin-4-yl-N-[1-(4-sulfamoylphenyl)ethyl]but-2-enamide (PubChem CID 132984944) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is (E)-3-pyridin-4-yl-N-[1-(4-sulfamoylphenyl)ethyl]but-2-enamide.

Molecular Properties

Compound Name(E)-3-pyridin-4-yl-N-[1-(4-sulfamoylphenyl)ethyl]but-2-enamide
PubChem CID132984944
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name(E)-3-pyridin-4-yl-N-[1-(4-sulfamoylphenyl)ethyl]but-2-enamide
SMILESC/C(=C\C(=O)NC(C)c1ccc(S(N)(=O)=O)cc1)c1ccncc1
InChIInChI=1S/C17H19N3O3S/c1-12(14-7-9-19-10-8-14)11-17(21)20-13(2)15-3-5-16(6-4-15)24(18,22)23/h3-11,13H,1-2H3,(H,20,21)(H2,18,22,23)/b12-11+
InChIKeyAFFAFMFIZVABPI-VAWYXSNFSA-N
XLogP2.01
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(pyridin-4-ylsulfamoyl)-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 55616707
1-propan-2-yl-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea
CID 25362862
1-(1-pyridin-4-ylethyl)-3-(4-sulfamoylphenyl)thiourea
CID 2957361
1-[(1S)-1-pyridin-4-ylethyl]-3-(4-sulfamoylphenyl)thiourea
CID 971707
N-(4-acetylphenyl)sulfonyl-3-pyridin-4-ylbut-2-enamide
CID 126816784
3-(2-fluorophenyl)-N-(1-pyridin-4-ylethyl)but-2-enamide
CID 103598516
N-[1-(3-sulfamoylphenyl)ethyl]pyridine-4-carboxamide
CID 51213435
2-bromo-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 107903643
3-(4-sulfamoylphenyl)but-2-enoic acid
CID 67877813
4-(pyridine-4-carbonyl)benzenesulfonamide
CID 23274879
3-amino-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 43702371
N-[1-(4-aminophenyl)ethyl]pyridine-4-carboxamide
CID 43297585

Frequently Asked Questions

What is the IUPAC name of (E)-3-pyridin-4-yl-N-[1-(4-sulfamoylphenyl)ethyl]but-2-enamide?
The IUPAC name of (E)-3-pyridin-4-yl-N-[1-(4-sulfamoylphenyl)ethyl]but-2-enamide (CID 132984944) is (E)-3-pyridin-4-yl-N-[1-(4-sulfamoylphenyl)ethyl]but-2-enamide.
What is the SMILES notation for (E)-3-pyridin-4-yl-N-[1-(4-sulfamoylphenyl)ethyl]but-2-enamide?
The canonical SMILES for (E)-3-pyridin-4-yl-N-[1-(4-sulfamoylphenyl)ethyl]but-2-enamide is C/C(=C\C(=O)NC(C)c1ccc(S(N)(=O)=O)cc1)c1ccncc1.
What is the InChIKey of (E)-3-pyridin-4-yl-N-[1-(4-sulfamoylphenyl)ethyl]but-2-enamide?
The InChIKey is AFFAFMFIZVABPI-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-12(14-7-9-19-10-8-14)11-17(21)20-13(2)15-3-5-16(6-4-15)24(18,22)23/h3-11,13H,1-2H3,(H,20,21)(H2,18,22,23)/b12-11+.
What are the key properties of (E)-3-pyridin-4-yl-N-[1-(4-sulfamoylphenyl)ethyl]but-2-enamide?
(E)-3-pyridin-4-yl-N-[1-(4-sulfamoylphenyl)ethyl]but-2-enamide has a molecular weight of 345.42 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-pyridin-4-yl-N-[1-(4-sulfamoylphenyl)ethyl]but-2-enamide is sourced from PubChem (CID 132984944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).