5-bromo-N-(3-cyanophenyl)-N-methylthiophene-2-carboxamide

C13H9BrN2OS — CID 47407994

IUPAC5-bromo-N-(3-cyanophenyl)-N-methylthiophene-2-carboxamide
SMILESCN(C(=O)c1ccc(Br)s1)c1cccc(C#N)c1
InChIInChI=1S/C13H9BrN2OS/c1-16(10-4-2-3-9(7-10)8-15)13(17)11-5-6-12(14)18-11/h2-7H,1H3
InChIKeyGKZVDGHTJVYAOG-UHFFFAOYSA-N
MW321.20 g/mol
LogP3.66
Rot. Bonds2

About 5-bromo-N-(3-cyanophenyl)-N-methylthiophene-2-carboxamide

5-bromo-N-(3-cyanophenyl)-N-methylthiophene-2-carboxamide (PubChem CID 47407994) has the molecular formula C13H9BrN2OS and a molecular weight of 321.20 g/mol. Its IUPAC name is 5-bromo-N-(3-cyanophenyl)-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-cyanophenyl)-N-methylthiophene-2-carboxamide
PubChem CID47407994
Molecular FormulaC13H9BrN2OS
Molecular Weight321.20 g/mol
Exact Mass319.96
IUPAC Name5-bromo-N-(3-cyanophenyl)-N-methylthiophene-2-carboxamide
SMILESCN(C(=O)c1ccc(Br)s1)c1cccc(C#N)c1
InChIInChI=1S/C13H9BrN2OS/c1-16(10-4-2-3-9(7-10)8-15)13(17)11-5-6-12(14)18-11/h2-7H,1H3
InChIKeyGKZVDGHTJVYAOG-UHFFFAOYSA-N
XLogP3.66
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.20
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyanophenyl)-N-methylthiophene-2-carboxamide
CID 47407929
3-bromo-N-(3-cyanophenyl)-N-methylbenzamide
CID 47407969
5-bromo-N-(3-carbamothioylphenyl)-N-methylthiophene-2-carboxamide
CID 62972030
6-bromo-N-(3-cyanophenyl)-N-methylpyridine-2-carboxamide
CID 103874290
2-amino-4-bromo-N-(3-cyanophenyl)-N-methylbenzamide
CID 79723280
3-bromo-N-(3-cyanophenyl)-N,4-dimethylbenzamide
CID 79467111
3-amino-5-bromo-N-(3-cyanophenyl)-N,2-dimethylbenzamide
CID 107872715
5-bromo-N-(3-cyanophenyl)-N-methylpyridine-2-carboxamide
CID 62981357
3-[(3-cyanophenyl)-methylcarbamoyl]benzoic acid
CID 62981166
3,5-diamino-N-(3-cyanophenyl)-N-methylbenzamide
CID 62983145
5-bromo-N-(4-hydroxyphenyl)-N-methylthiophene-2-carboxamide
CID 28739338
3-chloro-N-(3-cyanophenyl)-N,2-dimethylbenzamide
CID 107096775

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-cyanophenyl)-N-methylthiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(3-cyanophenyl)-N-methylthiophene-2-carboxamide (CID 47407994) is 5-bromo-N-(3-cyanophenyl)-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-cyanophenyl)-N-methylthiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(3-cyanophenyl)-N-methylthiophene-2-carboxamide is CN(C(=O)c1ccc(Br)s1)c1cccc(C#N)c1.
What is the InChIKey of 5-bromo-N-(3-cyanophenyl)-N-methylthiophene-2-carboxamide?
The InChIKey is GKZVDGHTJVYAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2OS/c1-16(10-4-2-3-9(7-10)8-15)13(17)11-5-6-12(14)18-11/h2-7H,1H3.
What are the key properties of 5-bromo-N-(3-cyanophenyl)-N-methylthiophene-2-carboxamide?
5-bromo-N-(3-cyanophenyl)-N-methylthiophene-2-carboxamide has a molecular weight of 321.20 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-cyanophenyl)-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 47407994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).