4-cyano-3-(2,4-dichlorophenyl)-5-(2-fluoro-4-pyridinyl)thiophene-2-carboxamide

C17H8Cl2FN3OS — CID 46866575

IUPAC4-cyano-3-(2,4-dichlorophenyl)-5-(2-fluoro-4-pyridinyl)thiophene-2-carboxamide
SMILESN#Cc1c(-c2ccnc(F)c2)sc(C(N)=O)c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H8Cl2FN3OS/c18-9-1-2-10(12(19)6-9)14-11(7-21)15(25-16(14)17(22)24)8-3-4-23-13(20)5-8/h1-6H,(H2,22,24)
InChIKeyTWHYXMDKMRXGFK-UHFFFAOYSA-N
MW392.24 g/mol
LogP4.89
Rot. Bonds3

About 4-cyano-3-(2,4-dichlorophenyl)-5-(2-fluoro-4-pyridinyl)thiophene-2-carboxamide

4-cyano-3-(2,4-dichlorophenyl)-5-(2-fluoro-4-pyridinyl)thiophene-2-carboxamide (PubChem CID 46866575) has the molecular formula C17H8Cl2FN3OS and a molecular weight of 392.24 g/mol. Its IUPAC name is 4-cyano-3-(2,4-dichlorophenyl)-5-(2-fluoro-4-pyridinyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-cyano-3-(2,4-dichlorophenyl)-5-(2-fluoro-4-pyridinyl)thiophene-2-carboxamide
PubChem CID46866575
Molecular FormulaC17H8Cl2FN3OS
Molecular Weight392.24 g/mol
Exact Mass390.97
IUPAC Name4-cyano-3-(2,4-dichlorophenyl)-5-(2-fluoro-4-pyridinyl)thiophene-2-carboxamide
SMILESN#Cc1c(-c2ccnc(F)c2)sc(C(N)=O)c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H8Cl2FN3OS/c18-9-1-2-10(12(19)6-9)14-11(7-21)15(25-16(14)17(22)24)8-3-4-23-13(20)5-8/h1-6H,(H2,22,24)
InChIKeyTWHYXMDKMRXGFK-UHFFFAOYSA-N
XLogP4.89
TPSA79.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.24
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-3-(2,4-dichlorophenyl)-5-(2-fluoro-4-pyridinyl)thiophene-2-carboxamide?
The IUPAC name of 4-cyano-3-(2,4-dichlorophenyl)-5-(2-fluoro-4-pyridinyl)thiophene-2-carboxamide (CID 46866575) is 4-cyano-3-(2,4-dichlorophenyl)-5-(2-fluoro-4-pyridinyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-cyano-3-(2,4-dichlorophenyl)-5-(2-fluoro-4-pyridinyl)thiophene-2-carboxamide?
The canonical SMILES for 4-cyano-3-(2,4-dichlorophenyl)-5-(2-fluoro-4-pyridinyl)thiophene-2-carboxamide is N#Cc1c(-c2ccnc(F)c2)sc(C(N)=O)c1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 4-cyano-3-(2,4-dichlorophenyl)-5-(2-fluoro-4-pyridinyl)thiophene-2-carboxamide?
The InChIKey is TWHYXMDKMRXGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H8Cl2FN3OS/c18-9-1-2-10(12(19)6-9)14-11(7-21)15(25-16(14)17(22)24)8-3-4-23-13(20)5-8/h1-6H,(H2,22,24).
What are the key properties of 4-cyano-3-(2,4-dichlorophenyl)-5-(2-fluoro-4-pyridinyl)thiophene-2-carboxamide?
4-cyano-3-(2,4-dichlorophenyl)-5-(2-fluoro-4-pyridinyl)thiophene-2-carboxamide has a molecular weight of 392.24 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-3-(2,4-dichlorophenyl)-5-(2-fluoro-4-pyridinyl)thiophene-2-carboxamide is sourced from PubChem (CID 46866575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).