5-cyano-3,4-diphenylthiophene-2-carboxamide

C18H12N2OS — CID 2740149

IUPAC5-cyano-3,4-diphenylthiophene-2-carboxamide
SMILESN#Cc1sc(C(N)=O)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C18H12N2OS/c19-11-14-15(12-7-3-1-4-8-12)16(17(22-14)18(20)21)13-9-5-2-6-10-13/h1-10H,(H2,20,21)
InChIKeyPSFCBYXIKLWBAN-UHFFFAOYSA-N
MW304.37 g/mol
LogP4.05
Rot. Bonds3

About 5-cyano-3,4-diphenylthiophene-2-carboxamide

5-cyano-3,4-diphenylthiophene-2-carboxamide (PubChem CID 2740149) has the molecular formula C18H12N2OS and a molecular weight of 304.37 g/mol. Its IUPAC name is 5-cyano-3,4-diphenylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-cyano-3,4-diphenylthiophene-2-carboxamide
PubChem CID2740149
Molecular FormulaC18H12N2OS
Molecular Weight304.37 g/mol
Exact Mass304.07
IUPAC Name5-cyano-3,4-diphenylthiophene-2-carboxamide
SMILESN#Cc1sc(C(N)=O)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C18H12N2OS/c19-11-14-15(12-7-3-1-4-8-12)16(17(22-14)18(20)21)13-9-5-2-6-10-13/h1-10H,(H2,20,21)
InChIKeyPSFCBYXIKLWBAN-UHFFFAOYSA-N
XLogP4.05
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-3,4-diphenylthiophene-2-carboxamide?
The IUPAC name of 5-cyano-3,4-diphenylthiophene-2-carboxamide (CID 2740149) is 5-cyano-3,4-diphenylthiophene-2-carboxamide.
What is the SMILES notation for 5-cyano-3,4-diphenylthiophene-2-carboxamide?
The canonical SMILES for 5-cyano-3,4-diphenylthiophene-2-carboxamide is N#Cc1sc(C(N)=O)c(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 5-cyano-3,4-diphenylthiophene-2-carboxamide?
The InChIKey is PSFCBYXIKLWBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2OS/c19-11-14-15(12-7-3-1-4-8-12)16(17(22-14)18(20)21)13-9-5-2-6-10-13/h1-10H,(H2,20,21).
What are the key properties of 5-cyano-3,4-diphenylthiophene-2-carboxamide?
5-cyano-3,4-diphenylthiophene-2-carboxamide has a molecular weight of 304.37 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-3,4-diphenylthiophene-2-carboxamide is sourced from PubChem (CID 2740149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).