N-(4-cyano-2-fluorophenyl)-4-sulfanylthiophene-2-carboxamide

C12H7FN2OS2 — CID 107033219

IUPACN-(4-cyano-2-fluorophenyl)-4-sulfanylthiophene-2-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cc(S)cs2)c(F)c1
InChIInChI=1S/C12H7FN2OS2/c13-9-3-7(5-14)1-2-10(9)15-12(16)11-4-8(17)6-18-11/h1-4,6,17H,(H,15,16)
InChIKeyHWPHOQCUVJRVKC-UHFFFAOYSA-N
MW278.33 g/mol
LogP3.30
Rot. Bonds2

About N-(4-cyano-2-fluorophenyl)-4-sulfanylthiophene-2-carboxamide

N-(4-cyano-2-fluorophenyl)-4-sulfanylthiophene-2-carboxamide (PubChem CID 107033219) has the molecular formula C12H7FN2OS2 and a molecular weight of 278.33 g/mol. Its IUPAC name is N-(4-cyano-2-fluorophenyl)-4-sulfanylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-cyano-2-fluorophenyl)-4-sulfanylthiophene-2-carboxamide
PubChem CID107033219
Molecular FormulaC12H7FN2OS2
Molecular Weight278.33 g/mol
Exact Mass278.00
IUPAC NameN-(4-cyano-2-fluorophenyl)-4-sulfanylthiophene-2-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cc(S)cs2)c(F)c1
InChIInChI=1S/C12H7FN2OS2/c13-9-3-7(5-14)1-2-10(9)15-12(16)11-4-8(17)6-18-11/h1-4,6,17H,(H,15,16)
InChIKeyHWPHOQCUVJRVKC-UHFFFAOYSA-N
XLogP3.30
TPSA52.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2,5-dibromo-N-(4-cyano-2-fluorophenyl)thiophene-3-carboxamide
CID 103820442
N-(4-cyano-2-fluorophenyl)acetamide
CID 11344323
N-(4-cyano-2-fluorophenyl)-2,6-dihydroxybenzamide
CID 107688649
4-bromo-N-(4-cyano-2-fluorophenyl)-2-sulfanylbenzamide
CID 107033218
N-(4-cyano-2-fluorophenyl)pyrazine-2-carboxamide
CID 103820427
5-bromo-N-(4-cyano-2-fluorophenyl)-2-iodobenzamide
CID 103820409
5-chloro-N-(4-cyano-2-fluorophenyl)-2-methylbenzamide
CID 115532718
2-bromo-N-(4-cyano-2-fluorophenyl)-2-methylpropanamide
CID 114328975
3-bromo-N-(4-cyano-2-fluorophenyl)-5-methylbenzamide
CID 104851539
N-(4-cyano-2-fluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103822749
3-amino-2-chloro-N-(4-cyano-2-fluorophenyl)benzamide
CID 115930631
N-(4-cyano-2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 103820430

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-2-fluorophenyl)-4-sulfanylthiophene-2-carboxamide?
The IUPAC name of N-(4-cyano-2-fluorophenyl)-4-sulfanylthiophene-2-carboxamide (CID 107033219) is N-(4-cyano-2-fluorophenyl)-4-sulfanylthiophene-2-carboxamide.
What is the SMILES notation for N-(4-cyano-2-fluorophenyl)-4-sulfanylthiophene-2-carboxamide?
The canonical SMILES for N-(4-cyano-2-fluorophenyl)-4-sulfanylthiophene-2-carboxamide is N#Cc1ccc(NC(=O)c2cc(S)cs2)c(F)c1.
What is the InChIKey of N-(4-cyano-2-fluorophenyl)-4-sulfanylthiophene-2-carboxamide?
The InChIKey is HWPHOQCUVJRVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FN2OS2/c13-9-3-7(5-14)1-2-10(9)15-12(16)11-4-8(17)6-18-11/h1-4,6,17H,(H,15,16).
What are the key properties of N-(4-cyano-2-fluorophenyl)-4-sulfanylthiophene-2-carboxamide?
N-(4-cyano-2-fluorophenyl)-4-sulfanylthiophene-2-carboxamide has a molecular weight of 278.33 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-2-fluorophenyl)-4-sulfanylthiophene-2-carboxamide is sourced from PubChem (CID 107033219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).