N-(5-bromo-2-cyanophenyl)-4,5-dimethylthiophene-2-carboxamide

C14H11BrN2OS — CID 104880459

IUPACN-(5-bromo-2-cyanophenyl)-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2cc(Br)ccc2C#N)sc1C
InChIInChI=1S/C14H11BrN2OS/c1-8-5-13(19-9(8)2)14(18)17-12-6-11(15)4-3-10(12)7-16/h3-6H,1-2H3,(H,17,18)
InChIKeyJQYOGRVIFYNKCY-UHFFFAOYSA-N
MW335.23 g/mol
LogP4.25
Rot. Bonds2

About N-(5-bromo-2-cyanophenyl)-4,5-dimethylthiophene-2-carboxamide

N-(5-bromo-2-cyanophenyl)-4,5-dimethylthiophene-2-carboxamide (PubChem CID 104880459) has the molecular formula C14H11BrN2OS and a molecular weight of 335.23 g/mol. Its IUPAC name is N-(5-bromo-2-cyanophenyl)-4,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-cyanophenyl)-4,5-dimethylthiophene-2-carboxamide
PubChem CID104880459
Molecular FormulaC14H11BrN2OS
Molecular Weight335.23 g/mol
Exact Mass333.98
IUPAC NameN-(5-bromo-2-cyanophenyl)-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2cc(Br)ccc2C#N)sc1C
InChIInChI=1S/C14H11BrN2OS/c1-8-5-13(19-9(8)2)14(18)17-12-6-11(15)4-3-10(12)7-16/h3-6H,1-2H3,(H,17,18)
InChIKeyJQYOGRVIFYNKCY-UHFFFAOYSA-N
XLogP4.25
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.23
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-cyanophenyl)-4,5-dimethylthiophene-2-carboxamide?
The IUPAC name of N-(5-bromo-2-cyanophenyl)-4,5-dimethylthiophene-2-carboxamide (CID 104880459) is N-(5-bromo-2-cyanophenyl)-4,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-(5-bromo-2-cyanophenyl)-4,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-(5-bromo-2-cyanophenyl)-4,5-dimethylthiophene-2-carboxamide is Cc1cc(C(=O)Nc2cc(Br)ccc2C#N)sc1C.
What is the InChIKey of N-(5-bromo-2-cyanophenyl)-4,5-dimethylthiophene-2-carboxamide?
The InChIKey is JQYOGRVIFYNKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2OS/c1-8-5-13(19-9(8)2)14(18)17-12-6-11(15)4-3-10(12)7-16/h3-6H,1-2H3,(H,17,18).
What are the key properties of N-(5-bromo-2-cyanophenyl)-4,5-dimethylthiophene-2-carboxamide?
N-(5-bromo-2-cyanophenyl)-4,5-dimethylthiophene-2-carboxamide has a molecular weight of 335.23 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-cyanophenyl)-4,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 104880459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).