4-(4-chlorophenyl)-2-(pyridine-4-carbonylamino)thiophene-3-carboxylic acid

C17H11ClN2O3S — CID 67203703

IUPAC4-(4-chlorophenyl)-2-(pyridine-4-carbonylamino)thiophene-3-carboxylic acid
SMILESO=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1ccncc1
InChIInChI=1S/C17H11ClN2O3S/c18-12-3-1-10(2-4-12)13-9-24-16(14(13)17(22)23)20-15(21)11-5-7-19-8-6-11/h1-9H,(H,20,21)(H,22,23)
InChIKeyUIUJBRSRDOAHQK-UHFFFAOYSA-N
MW358.81 g/mol
LogP4.41
Rot. Bonds4

About 4-(4-chlorophenyl)-2-(pyridine-4-carbonylamino)thiophene-3-carboxylic acid

4-(4-chlorophenyl)-2-(pyridine-4-carbonylamino)thiophene-3-carboxylic acid (PubChem CID 67203703) has the molecular formula C17H11ClN2O3S and a molecular weight of 358.81 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-(pyridine-4-carbonylamino)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-(pyridine-4-carbonylamino)thiophene-3-carboxylic acid
PubChem CID67203703
Molecular FormulaC17H11ClN2O3S
Molecular Weight358.81 g/mol
Exact Mass358.02
IUPAC Name4-(4-chlorophenyl)-2-(pyridine-4-carbonylamino)thiophene-3-carboxylic acid
SMILESO=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1ccncc1
InChIInChI=1S/C17H11ClN2O3S/c18-12-3-1-10(2-4-12)13-9-24-16(14(13)17(22)23)20-15(21)11-5-7-19-8-6-11/h1-9H,(H,20,21)(H,22,23)
InChIKeyUIUJBRSRDOAHQK-UHFFFAOYSA-N
XLogP4.41
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.81
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-(pyridine-4-carbonylamino)thiophene-3-carboxylic acid?
The IUPAC name of 4-(4-chlorophenyl)-2-(pyridine-4-carbonylamino)thiophene-3-carboxylic acid (CID 67203703) is 4-(4-chlorophenyl)-2-(pyridine-4-carbonylamino)thiophene-3-carboxylic acid.
What is the SMILES notation for 4-(4-chlorophenyl)-2-(pyridine-4-carbonylamino)thiophene-3-carboxylic acid?
The canonical SMILES for 4-(4-chlorophenyl)-2-(pyridine-4-carbonylamino)thiophene-3-carboxylic acid is O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1ccncc1.
What is the InChIKey of 4-(4-chlorophenyl)-2-(pyridine-4-carbonylamino)thiophene-3-carboxylic acid?
The InChIKey is UIUJBRSRDOAHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN2O3S/c18-12-3-1-10(2-4-12)13-9-24-16(14(13)17(22)23)20-15(21)11-5-7-19-8-6-11/h1-9H,(H,20,21)(H,22,23).
What are the key properties of 4-(4-chlorophenyl)-2-(pyridine-4-carbonylamino)thiophene-3-carboxylic acid?
4-(4-chlorophenyl)-2-(pyridine-4-carbonylamino)thiophene-3-carboxylic acid has a molecular weight of 358.81 g/mol, XLogP of 4.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-(pyridine-4-carbonylamino)thiophene-3-carboxylic acid is sourced from PubChem (CID 67203703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).