5-bromo-N-(2-thiophen-2-ylphenyl)-1-benzofuran-2-carboxamide

C19H12BrNO2S — CID 75414714

IUPAC5-bromo-N-(2-thiophen-2-ylphenyl)-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccccc1-c1cccs1)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C19H12BrNO2S/c20-13-7-8-16-12(10-13)11-17(23-16)19(22)21-15-5-2-1-4-14(15)18-6-3-9-24-18/h1-11H,(H,21,22)
InChIKeyNLQUPKBLAAZIFE-UHFFFAOYSA-N
MW398.28 g/mol
LogP6.18
Rot. Bonds3

About 5-bromo-N-(2-thiophen-2-ylphenyl)-1-benzofuran-2-carboxamide

5-bromo-N-(2-thiophen-2-ylphenyl)-1-benzofuran-2-carboxamide (PubChem CID 75414714) has the molecular formula C19H12BrNO2S and a molecular weight of 398.28 g/mol. Its IUPAC name is 5-bromo-N-(2-thiophen-2-ylphenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-thiophen-2-ylphenyl)-1-benzofuran-2-carboxamide
PubChem CID75414714
Molecular FormulaC19H12BrNO2S
Molecular Weight398.28 g/mol
Exact Mass396.98
IUPAC Name5-bromo-N-(2-thiophen-2-ylphenyl)-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccccc1-c1cccs1)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C19H12BrNO2S/c20-13-7-8-16-12(10-13)11-17(23-16)19(22)21-15-5-2-1-4-14(15)18-6-3-9-24-18/h1-11H,(H,21,22)
InChIKeyNLQUPKBLAAZIFE-UHFFFAOYSA-N
XLogP6.18
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.28
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(2-chlorophenyl)-1-benzofuran-2-carboxamide
CID 2988849
methyl 2-[(5-bromo-1-benzofuran-2-carbonyl)amino]benzoate
CID 19225311
3-bromo-N-(2-thiophen-2-ylphenyl)thiophene-2-carboxamide
CID 60778239
5-bromo-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 19225419
5-(2-chlorophenyl)-N-(2-thiophen-2-ylphenyl)furan-2-carboxamide
CID 18224856
3-methyl-N-(2-thiophen-2-ylphenyl)-1,2-oxazole-5-carboxamide
CID 47131140
N-(2-thiophen-2-ylphenyl)thiophene-2-carboxamide
CID 17412743
N-(2-amino-5-thiophen-2-ylphenyl)-1-benzofuran-2-carboxamide
CID 59736777
5-bromo-N-(2-thiophen-2-ylphenyl)thiophene-2-carboxamide
CID 47131134
5-bromo-N-(1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide
CID 19225426
5-bromo-N-(2,4-dimethylphenyl)-1-benzofuran-2-carboxamide
CID 19225280
N-(2-phenylphenyl)-1-benzofuran-2-carboxamide
CID 2473887

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-thiophen-2-ylphenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-thiophen-2-ylphenyl)-1-benzofuran-2-carboxamide (CID 75414714) is 5-bromo-N-(2-thiophen-2-ylphenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-thiophen-2-ylphenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-thiophen-2-ylphenyl)-1-benzofuran-2-carboxamide is O=C(Nc1ccccc1-c1cccs1)c1cc2cc(Br)ccc2o1.
What is the InChIKey of 5-bromo-N-(2-thiophen-2-ylphenyl)-1-benzofuran-2-carboxamide?
The InChIKey is NLQUPKBLAAZIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrNO2S/c20-13-7-8-16-12(10-13)11-17(23-16)19(22)21-15-5-2-1-4-14(15)18-6-3-9-24-18/h1-11H,(H,21,22).
What are the key properties of 5-bromo-N-(2-thiophen-2-ylphenyl)-1-benzofuran-2-carboxamide?
5-bromo-N-(2-thiophen-2-ylphenyl)-1-benzofuran-2-carboxamide has a molecular weight of 398.28 g/mol, XLogP of 6.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-thiophen-2-ylphenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 75414714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).