3-(cyanomethylsulfanyl)-N-(4-fluorophenyl)thiophene-2-carboxamide

C13H9FN2OS2 — CID 2766952

IUPAC3-(cyanomethylsulfanyl)-N-(4-fluorophenyl)thiophene-2-carboxamide
SMILESN#CCSc1ccsc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C13H9FN2OS2/c14-9-1-3-10(4-2-9)16-13(17)12-11(5-7-19-12)18-8-6-15/h1-5,7H,8H2,(H,16,17)
InChIKeyCJHXFUVDTRNCRD-UHFFFAOYSA-N
MW292.36 g/mol
LogP3.76
Rot. Bonds4

About 3-(cyanomethylsulfanyl)-N-(4-fluorophenyl)thiophene-2-carboxamide

3-(cyanomethylsulfanyl)-N-(4-fluorophenyl)thiophene-2-carboxamide (PubChem CID 2766952) has the molecular formula C13H9FN2OS2 and a molecular weight of 292.36 g/mol. Its IUPAC name is 3-(cyanomethylsulfanyl)-N-(4-fluorophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-(cyanomethylsulfanyl)-N-(4-fluorophenyl)thiophene-2-carboxamide
PubChem CID2766952
Molecular FormulaC13H9FN2OS2
Molecular Weight292.36 g/mol
Exact Mass292.01
IUPAC Name3-(cyanomethylsulfanyl)-N-(4-fluorophenyl)thiophene-2-carboxamide
SMILESN#CCSc1ccsc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C13H9FN2OS2/c14-9-1-3-10(4-2-9)16-13(17)12-11(5-7-19-12)18-8-6-15/h1-5,7H,8H2,(H,16,17)
InChIKeyCJHXFUVDTRNCRD-UHFFFAOYSA-N
XLogP3.76
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(cyanomethylsulfanyl)-N-(4-fluorophenyl)thiophene-2-carboxamide 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 3-(cyanomethylsulfanyl)-N-(4-fluorophenyl)thiophene-2-carboxamide?
The IUPAC name of 3-(cyanomethylsulfanyl)-N-(4-fluorophenyl)thiophene-2-carboxamide (CID 2766952) is 3-(cyanomethylsulfanyl)-N-(4-fluorophenyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-(cyanomethylsulfanyl)-N-(4-fluorophenyl)thiophene-2-carboxamide?
The canonical SMILES for 3-(cyanomethylsulfanyl)-N-(4-fluorophenyl)thiophene-2-carboxamide is N#CCSc1ccsc1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 3-(cyanomethylsulfanyl)-N-(4-fluorophenyl)thiophene-2-carboxamide?
The InChIKey is CJHXFUVDTRNCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2OS2/c14-9-1-3-10(4-2-9)16-13(17)12-11(5-7-19-12)18-8-6-15/h1-5,7H,8H2,(H,16,17).
What are the key properties of 3-(cyanomethylsulfanyl)-N-(4-fluorophenyl)thiophene-2-carboxamide?
3-(cyanomethylsulfanyl)-N-(4-fluorophenyl)thiophene-2-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyanomethylsulfanyl)-N-(4-fluorophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 2766952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).