6-bromo-3-chloro-N-(2-methoxyphenyl)-1-benzothiophene-2-carboxamide

C16H11BrClNO2S — CID 988675

IUPAC6-bromo-3-chloro-N-(2-methoxyphenyl)-1-benzothiophene-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1sc2cc(Br)ccc2c1Cl
InChIInChI=1S/C16H11BrClNO2S/c1-21-12-5-3-2-4-11(12)19-16(20)15-14(18)10-7-6-9(17)8-13(10)22-15/h2-8H,1H3,(H,19,20)
InChIKeyQLBSQESXUYAFEN-UHFFFAOYSA-N
MW396.69 g/mol
LogP5.58
Rot. Bonds3

About 6-bromo-3-chloro-N-(2-methoxyphenyl)-1-benzothiophene-2-carboxamide

6-bromo-3-chloro-N-(2-methoxyphenyl)-1-benzothiophene-2-carboxamide (PubChem CID 988675) has the molecular formula C16H11BrClNO2S and a molecular weight of 396.69 g/mol. Its IUPAC name is 6-bromo-3-chloro-N-(2-methoxyphenyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name6-bromo-3-chloro-N-(2-methoxyphenyl)-1-benzothiophene-2-carboxamide
PubChem CID988675
Molecular FormulaC16H11BrClNO2S
Molecular Weight396.69 g/mol
Exact Mass394.94
IUPAC Name6-bromo-3-chloro-N-(2-methoxyphenyl)-1-benzothiophene-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1sc2cc(Br)ccc2c1Cl
InChIInChI=1S/C16H11BrClNO2S/c1-21-12-5-3-2-4-11(12)19-16(20)15-14(18)10-7-6-9(17)8-13(10)22-15/h2-8H,1H3,(H,19,20)
InChIKeyQLBSQESXUYAFEN-UHFFFAOYSA-N
XLogP5.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.69
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-bromo-2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]benzoate
CID 67512563
6-bromo-3-chloro-N-pyrimidin-2-yl-1-benzothiophene-2-carboxamide
CID 2970899
3-chloro-N-[2-(2-methoxyanilino)-2-oxoethyl]-1-benzothiophene-2-carboxamide
CID 3937071
3-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 26884419
3-chloro-N-(3-chloro-2-methylphenyl)-6-methoxy-1-benzothiophene-2-carboxamide
CID 1013923
3-chloro-N-(2-chlorophenyl)-6-methyl-1-benzothiophene-2-carboxamide
CID 896642
3-chloro-N-(2-cyanophenyl)-6-methoxy-1-benzothiophene-2-carboxamide
CID 675783
N-(2-butoxyphenyl)-3-chloro-5-methoxy-1-benzothiophene-2-carboxamide
CID 19225604
3-chloro-6-fluoro-N-(2-methoxy-5-nitrophenyl)-1-benzothiophene-2-carboxamide
CID 16959985
1-(6-bromo-3-chloro-1-benzothiophen-2-yl)ethanone
CID 131145979
N-(2-bromophenyl)-3-chloro-1-benzothiophene-2-carboxamide
CID 606808
3-chloro-N-[2-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-6-methoxy-1-benzothiophene-2-carboxamide
CID 2353162

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-chloro-N-(2-methoxyphenyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 6-bromo-3-chloro-N-(2-methoxyphenyl)-1-benzothiophene-2-carboxamide (CID 988675) is 6-bromo-3-chloro-N-(2-methoxyphenyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 6-bromo-3-chloro-N-(2-methoxyphenyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 6-bromo-3-chloro-N-(2-methoxyphenyl)-1-benzothiophene-2-carboxamide is COc1ccccc1NC(=O)c1sc2cc(Br)ccc2c1Cl.
What is the InChIKey of 6-bromo-3-chloro-N-(2-methoxyphenyl)-1-benzothiophene-2-carboxamide?
The InChIKey is QLBSQESXUYAFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrClNO2S/c1-21-12-5-3-2-4-11(12)19-16(20)15-14(18)10-7-6-9(17)8-13(10)22-15/h2-8H,1H3,(H,19,20).
What are the key properties of 6-bromo-3-chloro-N-(2-methoxyphenyl)-1-benzothiophene-2-carboxamide?
6-bromo-3-chloro-N-(2-methoxyphenyl)-1-benzothiophene-2-carboxamide has a molecular weight of 396.69 g/mol, XLogP of 5.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-chloro-N-(2-methoxyphenyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 988675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).