7-bromo-N-(2-methylsulfanylphenyl)-1-benzofuran-2-carboxamide

C16H12BrNO2S — CID 46450792

IUPAC7-bromo-N-(2-methylsulfanylphenyl)-1-benzofuran-2-carboxamide
SMILESCSc1ccccc1NC(=O)c1cc2cccc(Br)c2o1
InChIInChI=1S/C16H12BrNO2S/c1-21-14-8-3-2-7-12(14)18-16(19)13-9-10-5-4-6-11(17)15(10)20-13/h2-9H,1H3,(H,18,19)
InChIKeyOFJNKYWILNHRAU-UHFFFAOYSA-N
MW362.25 g/mol
LogP5.17
Rot. Bonds3

About 7-bromo-N-(2-methylsulfanylphenyl)-1-benzofuran-2-carboxamide

7-bromo-N-(2-methylsulfanylphenyl)-1-benzofuran-2-carboxamide (PubChem CID 46450792) has the molecular formula C16H12BrNO2S and a molecular weight of 362.25 g/mol. Its IUPAC name is 7-bromo-N-(2-methylsulfanylphenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-bromo-N-(2-methylsulfanylphenyl)-1-benzofuran-2-carboxamide
PubChem CID46450792
Molecular FormulaC16H12BrNO2S
Molecular Weight362.25 g/mol
Exact Mass360.98
IUPAC Name7-bromo-N-(2-methylsulfanylphenyl)-1-benzofuran-2-carboxamide
SMILESCSc1ccccc1NC(=O)c1cc2cccc(Br)c2o1
InChIInChI=1S/C16H12BrNO2S/c1-21-14-8-3-2-7-12(14)18-16(19)13-9-10-5-4-6-11(17)15(10)20-13/h2-9H,1H3,(H,18,19)
InChIKeyOFJNKYWILNHRAU-UHFFFAOYSA-N
XLogP5.17
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.25
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-bromo-N-(2,3-dimethylphenyl)-1-benzofuran-2-carboxamide
CID 38885789
7-bromo-N-(2,5-difluorophenyl)-1-benzofuran-2-carboxamide
CID 38897845
N-(4-acetamidophenyl)-7-bromo-1-benzofuran-2-carboxamide
CID 39705718
methyl 3-[(7-bromo-1-benzofuran-2-carbonyl)amino]-4-fluorobenzoate
CID 38939880
methyl 3-[(7-bromo-1-benzofuran-2-carbonyl)amino]thiophene-2-carboxylate
CID 38928922
7-bromo-N-(2-methyl-6-propan-2-ylphenyl)-1-benzofuran-2-carboxamide
CID 38899371
methyl 3-[(7-bromo-1-benzofuran-2-carbonyl)amino]-4-methylbenzoate
CID 38908619
N-(2-fluorophenyl)-7-methyl-1-benzofuran-2-carboxamide
CID 48980668
7-bromo-1-benzofuran-2-carboxamide
CID 47331810
7-bromo-N-(4-methylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 38912077
N-benzyl-7-bromo-1-benzofuran-2-carboxamide
CID 38885383
(2S)-2-[(7-bromo-1-benzofuran-2-carbonyl)amino]-3-methylbutanoic acid
CID 61389773

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-(2-methylsulfanylphenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 7-bromo-N-(2-methylsulfanylphenyl)-1-benzofuran-2-carboxamide (CID 46450792) is 7-bromo-N-(2-methylsulfanylphenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-bromo-N-(2-methylsulfanylphenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-bromo-N-(2-methylsulfanylphenyl)-1-benzofuran-2-carboxamide is CSc1ccccc1NC(=O)c1cc2cccc(Br)c2o1.
What is the InChIKey of 7-bromo-N-(2-methylsulfanylphenyl)-1-benzofuran-2-carboxamide?
The InChIKey is OFJNKYWILNHRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNO2S/c1-21-14-8-3-2-7-12(14)18-16(19)13-9-10-5-4-6-11(17)15(10)20-13/h2-9H,1H3,(H,18,19).
What are the key properties of 7-bromo-N-(2-methylsulfanylphenyl)-1-benzofuran-2-carboxamide?
7-bromo-N-(2-methylsulfanylphenyl)-1-benzofuran-2-carboxamide has a molecular weight of 362.25 g/mol, XLogP of 5.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-(2-methylsulfanylphenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 46450792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).