methyl 4-phenyl-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate

C17H13N3O3S — CID 2930795

IUPACmethyl 4-phenyl-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate
SMILESCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cnccn1
InChIInChI=1S/C17H13N3O3S/c1-23-17(22)14-12(11-5-3-2-4-6-11)10-24-16(14)20-15(21)13-9-18-7-8-19-13/h2-10H,1H3,(H,20,21)
InChIKeyNXDCWCUSITUPPC-UHFFFAOYSA-N
MW339.38 g/mol
LogP3.24
Rot. Bonds4

About methyl 4-phenyl-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate

methyl 4-phenyl-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate (PubChem CID 2930795) has the molecular formula C17H13N3O3S and a molecular weight of 339.38 g/mol. Its IUPAC name is methyl 4-phenyl-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-phenyl-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate
PubChem CID2930795
Molecular FormulaC17H13N3O3S
Molecular Weight339.38 g/mol
Exact Mass339.07
IUPAC Namemethyl 4-phenyl-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate
SMILESCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cnccn1
InChIInChI=1S/C17H13N3O3S/c1-23-17(22)14-12(11-5-3-2-4-6-11)10-24-16(14)20-15(21)13-9-18-7-8-19-13/h2-10H,1H3,(H,20,21)
InChIKeyNXDCWCUSITUPPC-UHFFFAOYSA-N
XLogP3.24
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Ab(40)', 'substructure': 'N/A'}

Analyze methyl 4-phenyl-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate 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 methyl 4-phenyl-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate?
The IUPAC name of methyl 4-phenyl-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate (CID 2930795) is methyl 4-phenyl-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate.
What is the SMILES notation for methyl 4-phenyl-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate?
The canonical SMILES for methyl 4-phenyl-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate is COC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cnccn1.
What is the InChIKey of methyl 4-phenyl-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate?
The InChIKey is NXDCWCUSITUPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3S/c1-23-17(22)14-12(11-5-3-2-4-6-11)10-24-16(14)20-15(21)13-9-18-7-8-19-13/h2-10H,1H3,(H,20,21).
What are the key properties of methyl 4-phenyl-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate?
methyl 4-phenyl-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate has a molecular weight of 339.38 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-phenyl-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate is sourced from PubChem (CID 2930795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).