(E)-N-quinoxalin-2-yl-3-thiophen-2-ylprop-2-enamide

C15H11N3OS — CID 25061370

IUPAC(E)-N-quinoxalin-2-yl-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)Nc1cnc2ccccc2n1
InChIInChI=1S/C15H11N3OS/c19-15(8-7-11-4-3-9-20-11)18-14-10-16-12-5-1-2-6-13(12)17-14/h1-10H,(H,17,18,19)/b8-7+
InChIKeyNFCCAGHSWPCCAU-BQYQJAHWSA-N
MW281.34 g/mol
LogP3.34
Rot. Bonds3

About (E)-N-quinoxalin-2-yl-3-thiophen-2-ylprop-2-enamide

(E)-N-quinoxalin-2-yl-3-thiophen-2-ylprop-2-enamide (PubChem CID 25061370) has the molecular formula C15H11N3OS and a molecular weight of 281.34 g/mol. Its IUPAC name is (E)-N-quinoxalin-2-yl-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-quinoxalin-2-yl-3-thiophen-2-ylprop-2-enamide
PubChem CID25061370
Molecular FormulaC15H11N3OS
Molecular Weight281.34 g/mol
Exact Mass281.06
IUPAC Name(E)-N-quinoxalin-2-yl-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)Nc1cnc2ccccc2n1
InChIInChI=1S/C15H11N3OS/c19-15(8-7-11-4-3-9-20-11)18-14-10-16-12-5-1-2-6-13(12)17-14/h1-10H,(H,17,18,19)/b8-7+
InChIKeyNFCCAGHSWPCCAU-BQYQJAHWSA-N
XLogP3.34
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-quinolin-3-yl-3-thiophen-2-ylprop-2-enamide
CID 18146464
N-(6-methyl-2-pyridinyl)-3-thiophen-2-ylprop-2-enamide
CID 903281
(E)-N-(4-hydroxyphenyl)-3-thiophen-2-ylprop-2-enamide
CID 28739526
N-naphthalen-2-yl-3-thiophen-2-ylprop-2-enamide
CID 3594199
(E)-N-pyridin-3-yl-3-thiophen-2-ylprop-2-enamide
CID 879707
(E)-N-(1-propylbenzimidazol-2-yl)-3-thiophen-2-ylprop-2-enamide
CID 8914471
N-[4-(1H-benzimidazol-2-yl)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 3299542
(E)-N-(2-pyrazol-1-ylpyrimidin-5-yl)-3-thiophen-2-ylprop-2-enamide
CID 122300255
(E)-N-(2-methylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 2146472
N-benzo[g][1,3]benzothiazol-2-yl-3-thiophen-2-ylprop-2-enamide
CID 5169785
2-(3-thiophen-2-ylprop-2-enoylamino)benzoic acid
CID 3063368
(E)-N-(2,4-diethoxypyrimidin-5-yl)-3-thiophen-2-ylprop-2-enamide
CID 122304392

Frequently Asked Questions

What is the IUPAC name of (E)-N-quinoxalin-2-yl-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-quinoxalin-2-yl-3-thiophen-2-ylprop-2-enamide (CID 25061370) is (E)-N-quinoxalin-2-yl-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-quinoxalin-2-yl-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-quinoxalin-2-yl-3-thiophen-2-ylprop-2-enamide is O=C(/C=C/c1cccs1)Nc1cnc2ccccc2n1.
What is the InChIKey of (E)-N-quinoxalin-2-yl-3-thiophen-2-ylprop-2-enamide?
The InChIKey is NFCCAGHSWPCCAU-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H11N3OS/c19-15(8-7-11-4-3-9-20-11)18-14-10-16-12-5-1-2-6-13(12)17-14/h1-10H,(H,17,18,19)/b8-7+.
What are the key properties of (E)-N-quinoxalin-2-yl-3-thiophen-2-ylprop-2-enamide?
(E)-N-quinoxalin-2-yl-3-thiophen-2-ylprop-2-enamide has a molecular weight of 281.34 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-quinoxalin-2-yl-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 25061370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).