N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-quinoxalin-2-ylprop-2-enamide

C18H17N3O2S — CID 71985060

IUPACN-(2-hydroxy-2-thiophen-3-ylpropyl)-3-quinoxalin-2-ylprop-2-enamide
SMILESCC(O)(CNC(=O)C=Cc1cnc2ccccc2n1)c1ccsc1
InChIInChI=1S/C18H17N3O2S/c1-18(23,13-8-9-24-11-13)12-20-17(22)7-6-14-10-19-15-4-2-3-5-16(15)21-14/h2-11,23H,12H2,1H3,(H,20,22)
InChIKeyMDXAEAAYQYXAIH-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.73
Rot. Bonds5

About N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-quinoxalin-2-ylprop-2-enamide

N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-quinoxalin-2-ylprop-2-enamide (PubChem CID 71985060) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-quinoxalin-2-ylprop-2-enamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-3-ylpropyl)-3-quinoxalin-2-ylprop-2-enamide
PubChem CID71985060
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC NameN-(2-hydroxy-2-thiophen-3-ylpropyl)-3-quinoxalin-2-ylprop-2-enamide
SMILESCC(O)(CNC(=O)C=Cc1cnc2ccccc2n1)c1ccsc1
InChIInChI=1S/C18H17N3O2S/c1-18(23,13-8-9-24-11-13)12-20-17(22)7-6-14-10-19-15-4-2-3-5-16(15)21-14/h2-11,23H,12H2,1H3,(H,20,22)
InChIKeyMDXAEAAYQYXAIH-UHFFFAOYSA-N
XLogP2.73
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-quinolin-8-ylprop-2-enamide
CID 71985062
(E)-3-(2,6-difluorophenyl)-N-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]prop-2-enamide
CID 95784614
(Z)-3-(2,6-difluorophenyl)-N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]prop-2-enamide
CID 97359554
(E)-3-(furan-2-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)prop-2-enamide
CID 75408131
(E)-N-propyl-3-quinoxalin-2-ylprop-2-enamide
CID 29292325
(E)-N-(2-methylbutan-2-yl)-3-quinoxalin-2-ylprop-2-enamide
CID 2447060
N-prop-2-enyl-3-quinoxalin-2-ylprop-2-enamide
CID 4883206
N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(4-nitrophenyl)prop-2-enamide
CID 71867266
N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-3-methylbut-2-enamide
CID 96567087
N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111451803
(E)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3-quinoxalin-2-ylprop-2-enamide
CID 33165528
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-quinoxalin-2-ylprop-2-enamide
CID 103598498

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-quinoxalin-2-ylprop-2-enamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-quinoxalin-2-ylprop-2-enamide (CID 71985060) is N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-quinoxalin-2-ylprop-2-enamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-quinoxalin-2-ylprop-2-enamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-quinoxalin-2-ylprop-2-enamide is CC(O)(CNC(=O)C=Cc1cnc2ccccc2n1)c1ccsc1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-quinoxalin-2-ylprop-2-enamide?
The InChIKey is MDXAEAAYQYXAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-18(23,13-8-9-24-11-13)12-20-17(22)7-6-14-10-19-15-4-2-3-5-16(15)21-14/h2-11,23H,12H2,1H3,(H,20,22).
What are the key properties of N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-quinoxalin-2-ylprop-2-enamide?
N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-quinoxalin-2-ylprop-2-enamide has a molecular weight of 339.42 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-quinoxalin-2-ylprop-2-enamide is sourced from PubChem (CID 71985060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).