5-bromo-N-(3-cyano-5-ethylthiophen-2-yl)furan-3-carboxamide

C12H9BrN2O2S — CID 75416245

IUPAC5-bromo-N-(3-cyano-5-ethylthiophen-2-yl)furan-3-carboxamide
SMILESCCc1cc(C#N)c(NC(=O)c2coc(Br)c2)s1
InChIInChI=1S/C12H9BrN2O2S/c1-2-9-3-7(5-14)12(18-9)15-11(16)8-4-10(13)17-6-8/h3-4,6H,2H2,1H3,(H,15,16)
InChIKeyQRECIEZSTWCOSY-UHFFFAOYSA-N
MW325.19 g/mol
LogP3.79
Rot. Bonds3

About 5-bromo-N-(3-cyano-5-ethylthiophen-2-yl)furan-3-carboxamide

5-bromo-N-(3-cyano-5-ethylthiophen-2-yl)furan-3-carboxamide (PubChem CID 75416245) has the molecular formula C12H9BrN2O2S and a molecular weight of 325.19 g/mol. Its IUPAC name is 5-bromo-N-(3-cyano-5-ethylthiophen-2-yl)furan-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-cyano-5-ethylthiophen-2-yl)furan-3-carboxamide
PubChem CID75416245
Molecular FormulaC12H9BrN2O2S
Molecular Weight325.19 g/mol
Exact Mass323.96
IUPAC Name5-bromo-N-(3-cyano-5-ethylthiophen-2-yl)furan-3-carboxamide
SMILESCCc1cc(C#N)c(NC(=O)c2coc(Br)c2)s1
InChIInChI=1S/C12H9BrN2O2S/c1-2-9-3-7(5-14)12(18-9)15-11(16)8-4-10(13)17-6-8/h3-4,6H,2H2,1H3,(H,15,16)
InChIKeyQRECIEZSTWCOSY-UHFFFAOYSA-N
XLogP3.79
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.19
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(3-cyano-5-ethylthiophen-2-yl)-2-methoxy-2-phenylacetamide
CID 124616555
N-(3-cyano-5-ethylthiophen-2-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide
CID 55905942
N-(3-cyano-5-ethylthiophen-2-yl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide
CID 55905047
ethyl 5-ethyl-2-[(5-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate
CID 114822083
3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-cyano-5-ethylthiophen-2-yl)benzamide
CID 55905941
N-(3-cyano-5-ethylthiophen-2-yl)-2-cyclopropyl-1,1,3-trioxo-1,2-benzothiazole-6-carboxamide
CID 55906198
N-(3-cyano-5-ethylthiophen-2-yl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 55905052
1-(3-chlorophenyl)-N-(3-cyano-5-ethylthiophen-2-yl)-5-methylpyrazole-4-carboxamide
CID 55906603
N-(3-cyano-5-ethylthiophen-2-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 55906470
5-bromo-N-(1-ethylcyclobutyl)furan-3-carboxamide
CID 130978943
N-(3-cyano-5-ethylthiophen-2-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 55904917
N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-4-methoxybenzamide
CID 2814381

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-cyano-5-ethylthiophen-2-yl)furan-3-carboxamide?
The IUPAC name of 5-bromo-N-(3-cyano-5-ethylthiophen-2-yl)furan-3-carboxamide (CID 75416245) is 5-bromo-N-(3-cyano-5-ethylthiophen-2-yl)furan-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-cyano-5-ethylthiophen-2-yl)furan-3-carboxamide?
The canonical SMILES for 5-bromo-N-(3-cyano-5-ethylthiophen-2-yl)furan-3-carboxamide is CCc1cc(C#N)c(NC(=O)c2coc(Br)c2)s1.
What is the InChIKey of 5-bromo-N-(3-cyano-5-ethylthiophen-2-yl)furan-3-carboxamide?
The InChIKey is QRECIEZSTWCOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2O2S/c1-2-9-3-7(5-14)12(18-9)15-11(16)8-4-10(13)17-6-8/h3-4,6H,2H2,1H3,(H,15,16).
What are the key properties of 5-bromo-N-(3-cyano-5-ethylthiophen-2-yl)furan-3-carboxamide?
5-bromo-N-(3-cyano-5-ethylthiophen-2-yl)furan-3-carboxamide has a molecular weight of 325.19 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-cyano-5-ethylthiophen-2-yl)furan-3-carboxamide is sourced from PubChem (CID 75416245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).