5-bromo-N-(2-ethylsulfanylphenyl)furan-2-carboxamide

C13H12BrNO2S — CID 47310866

IUPAC5-bromo-N-(2-ethylsulfanylphenyl)furan-2-carboxamide
SMILESCCSc1ccccc1NC(=O)c1ccc(Br)o1
InChIInChI=1S/C13H12BrNO2S/c1-2-18-11-6-4-3-5-9(11)15-13(16)10-7-8-12(14)17-10/h3-8H,2H2,1H3,(H,15,16)
InChIKeyCMXCCTFKLLJBFO-UHFFFAOYSA-N
MW326.22 g/mol
LogP4.41
Rot. Bonds4

About 5-bromo-N-(2-ethylsulfanylphenyl)furan-2-carboxamide

5-bromo-N-(2-ethylsulfanylphenyl)furan-2-carboxamide (PubChem CID 47310866) has the molecular formula C13H12BrNO2S and a molecular weight of 326.22 g/mol. Its IUPAC name is 5-bromo-N-(2-ethylsulfanylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-ethylsulfanylphenyl)furan-2-carboxamide
PubChem CID47310866
Molecular FormulaC13H12BrNO2S
Molecular Weight326.22 g/mol
Exact Mass324.98
IUPAC Name5-bromo-N-(2-ethylsulfanylphenyl)furan-2-carboxamide
SMILESCCSc1ccccc1NC(=O)c1ccc(Br)o1
InChIInChI=1S/C13H12BrNO2S/c1-2-18-11-6-4-3-5-9(11)15-13(16)10-7-8-12(14)17-10/h3-8H,2H2,1H3,(H,15,16)
InChIKeyCMXCCTFKLLJBFO-UHFFFAOYSA-N
XLogP4.41
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.22
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(2-ethylphenyl)furan-2-carboxamide
CID 835581
5-bromo-N-[2-(difluoromethylsulfanyl)phenyl]furan-2-carboxamide
CID 17393458
5-bromo-N-[2-(butanoylamino)phenyl]furan-2-carboxamide
CID 1297850
N-(2-ethylsulfanylphenyl)-2-methylsulfanylbenzamide
CID 28577649
methyl 2-[(5-bromofuran-2-carbonyl)amino]benzoate
CID 728836
5-bromo-N-(2-phenylphenyl)furan-2-carboxamide
CID 2183264
N-(2-ethylsulfanylphenyl)-2-iodobenzamide
CID 47310864
2-bromo-N-(2-ethylsulfanylphenyl)propanamide
CID 107904096
2-(ethylamino)-N-(2-ethylsulfanylphenyl)benzamide
CID 63107839
5-bromo-N-(2-ethylsulfanylphenyl)-2-fluorobenzamide
CID 47267896
5-bromo-N-(4-butan-2-ylphenyl)furan-2-carboxamide
CID 3111249
N-(2-ethylsulfanylphenyl)-2,6-dimethoxybenzamide
CID 92646111

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-ethylsulfanylphenyl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-ethylsulfanylphenyl)furan-2-carboxamide (CID 47310866) is 5-bromo-N-(2-ethylsulfanylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-ethylsulfanylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-ethylsulfanylphenyl)furan-2-carboxamide is CCSc1ccccc1NC(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(2-ethylsulfanylphenyl)furan-2-carboxamide?
The InChIKey is CMXCCTFKLLJBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO2S/c1-2-18-11-6-4-3-5-9(11)15-13(16)10-7-8-12(14)17-10/h3-8H,2H2,1H3,(H,15,16).
What are the key properties of 5-bromo-N-(2-ethylsulfanylphenyl)furan-2-carboxamide?
5-bromo-N-(2-ethylsulfanylphenyl)furan-2-carboxamide has a molecular weight of 326.22 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-ethylsulfanylphenyl)furan-2-carboxamide is sourced from PubChem (CID 47310866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).