2-[4-(2,4-dicyanophenyl)phenyl]thiophene-3-carboxamide

C19H11N3OS — CID 69252497

IUPAC2-[4-(2,4-dicyanophenyl)phenyl]thiophene-3-carboxamide
SMILESN#Cc1ccc(-c2ccc(-c3sccc3C(N)=O)cc2)c(C#N)c1
InChIInChI=1S/C19H11N3OS/c20-10-12-1-6-16(15(9-12)11-21)13-2-4-14(5-3-13)18-17(19(22)23)7-8-24-18/h1-9H,(H2,22,23)
InChIKeyKPKOUCDTDOETMZ-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.92
Rot. Bonds3

About 2-[4-(2,4-dicyanophenyl)phenyl]thiophene-3-carboxamide

2-[4-(2,4-dicyanophenyl)phenyl]thiophene-3-carboxamide (PubChem CID 69252497) has the molecular formula C19H11N3OS and a molecular weight of 329.38 g/mol. Its IUPAC name is 2-[4-(2,4-dicyanophenyl)phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[4-(2,4-dicyanophenyl)phenyl]thiophene-3-carboxamide
PubChem CID69252497
Molecular FormulaC19H11N3OS
Molecular Weight329.38 g/mol
Exact Mass329.06
IUPAC Name2-[4-(2,4-dicyanophenyl)phenyl]thiophene-3-carboxamide
SMILESN#Cc1ccc(-c2ccc(-c3sccc3C(N)=O)cc2)c(C#N)c1
InChIInChI=1S/C19H11N3OS/c20-10-12-1-6-16(15(9-12)11-21)13-2-4-14(5-3-13)18-17(19(22)23)7-8-24-18/h1-9H,(H2,22,23)
InChIKeyKPKOUCDTDOETMZ-UHFFFAOYSA-N
XLogP3.92
TPSA90.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-dicyanophenyl)phenyl]thiophene-3-carboxamide?
The IUPAC name of 2-[4-(2,4-dicyanophenyl)phenyl]thiophene-3-carboxamide (CID 69252497) is 2-[4-(2,4-dicyanophenyl)phenyl]thiophene-3-carboxamide.
What is the SMILES notation for 2-[4-(2,4-dicyanophenyl)phenyl]thiophene-3-carboxamide?
The canonical SMILES for 2-[4-(2,4-dicyanophenyl)phenyl]thiophene-3-carboxamide is N#Cc1ccc(-c2ccc(-c3sccc3C(N)=O)cc2)c(C#N)c1.
What is the InChIKey of 2-[4-(2,4-dicyanophenyl)phenyl]thiophene-3-carboxamide?
The InChIKey is KPKOUCDTDOETMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11N3OS/c20-10-12-1-6-16(15(9-12)11-21)13-2-4-14(5-3-13)18-17(19(22)23)7-8-24-18/h1-9H,(H2,22,23).
What are the key properties of 2-[4-(2,4-dicyanophenyl)phenyl]thiophene-3-carboxamide?
2-[4-(2,4-dicyanophenyl)phenyl]thiophene-3-carboxamide has a molecular weight of 329.38 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-dicyanophenyl)phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 69252497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).