(E)-2-phenyl-N-pyrazin-2-yl-3-thiophen-2-ylprop-2-enamide

C17H13N3OS — CID 44568124

IUPAC(E)-2-phenyl-N-pyrazin-2-yl-3-thiophen-2-ylprop-2-enamide
SMILESO=C(Nc1cnccn1)/C(=C/c1cccs1)c1ccccc1
InChIInChI=1S/C17H13N3OS/c21-17(20-16-12-18-8-9-19-16)15(11-14-7-4-10-22-14)13-5-2-1-3-6-13/h1-12H,(H,19,20,21)/b15-11+
InChIKeyVQHRYNOCPAXJQV-RVDMUPIBSA-N
MW307.38 g/mol
LogP3.72
Rot. Bonds4

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

(E)-2-phenyl-N-pyrazin-2-yl-3-thiophen-2-ylprop-2-enamide (PubChem CID 44568124) has the molecular formula C17H13N3OS and a molecular weight of 307.38 g/mol. Its IUPAC name is (E)-2-phenyl-N-pyrazin-2-yl-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-phenyl-N-pyrazin-2-yl-3-thiophen-2-ylprop-2-enamide
PubChem CID44568124
Molecular FormulaC17H13N3OS
Molecular Weight307.38 g/mol
Exact Mass307.08
IUPAC Name(E)-2-phenyl-N-pyrazin-2-yl-3-thiophen-2-ylprop-2-enamide
SMILESO=C(Nc1cnccn1)/C(=C/c1cccs1)c1ccccc1
InChIInChI=1S/C17H13N3OS/c21-17(20-16-12-18-8-9-19-16)15(11-14-7-4-10-22-14)13-5-2-1-3-6-13/h1-12H,(H,19,20,21)/b15-11+
InChIKeyVQHRYNOCPAXJQV-RVDMUPIBSA-N
XLogP3.72
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-2-phenyl-N-pyrazin-2-yl-3-thiophen-2-ylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-2-phenyl-N-pyrazin-2-yl-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-2-phenyl-N-pyrazin-2-yl-3-thiophen-2-ylprop-2-enamide (CID 44568124) is (E)-2-phenyl-N-pyrazin-2-yl-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-2-phenyl-N-pyrazin-2-yl-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-2-phenyl-N-pyrazin-2-yl-3-thiophen-2-ylprop-2-enamide is O=C(Nc1cnccn1)/C(=C/c1cccs1)c1ccccc1.
What is the InChIKey of (E)-2-phenyl-N-pyrazin-2-yl-3-thiophen-2-ylprop-2-enamide?
The InChIKey is VQHRYNOCPAXJQV-RVDMUPIBSA-N. The full InChI is InChI=1S/C17H13N3OS/c21-17(20-16-12-18-8-9-19-16)15(11-14-7-4-10-22-14)13-5-2-1-3-6-13/h1-12H,(H,19,20,21)/b15-11+.
What are the key properties of (E)-2-phenyl-N-pyrazin-2-yl-3-thiophen-2-ylprop-2-enamide?
(E)-2-phenyl-N-pyrazin-2-yl-3-thiophen-2-ylprop-2-enamide has a molecular weight of 307.38 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-phenyl-N-pyrazin-2-yl-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 44568124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).