N-(5-bromo-1-benzothiophen-3-yl)acetamide

C10H8BrNOS — CID 615287

IUPACN-(5-bromo-1-benzothiophen-3-yl)acetamide
SMILESCC(=O)Nc1csc2ccc(Br)cc12
InChIInChI=1S/C10H8BrNOS/c1-6(13)12-9-5-14-10-3-2-7(11)4-8(9)10/h2-5H,1H3,(H,12,13)
InChIKeyXMBGRZPMZMOTKX-UHFFFAOYSA-N
MW270.15 g/mol
LogP3.62
Rot. Bonds1

About N-(5-bromo-1-benzothiophen-3-yl)acetamide

N-(5-bromo-1-benzothiophen-3-yl)acetamide (PubChem CID 615287) has the molecular formula C10H8BrNOS and a molecular weight of 270.15 g/mol. Its IUPAC name is N-(5-bromo-1-benzothiophen-3-yl)acetamide.

Molecular Properties

Compound NameN-(5-bromo-1-benzothiophen-3-yl)acetamide
PubChem CID615287
Molecular FormulaC10H8BrNOS
Molecular Weight270.15 g/mol
Exact Mass268.95
IUPAC NameN-(5-bromo-1-benzothiophen-3-yl)acetamide
SMILESCC(=O)Nc1csc2ccc(Br)cc12
InChIInChI=1S/C10H8BrNOS/c1-6(13)12-9-5-14-10-3-2-7(11)4-8(9)10/h2-5H,1H3,(H,12,13)
InChIKeyXMBGRZPMZMOTKX-UHFFFAOYSA-N
XLogP3.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.15
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-bromo-1-benzothiophen-3-yl)amino]propanoic acid
CID 69381365
5-bromo-3-ethyl-1-benzothiophene
CID 11708535
5-bromo-1-benzothiophene-3-carboxylic acid;6-bromo-1-benzothiophene-3-carboxylic acid
CID 67631930
3-(5-bromo-1-benzothiophen-3-yl)-2-methylpropanoic acid
CID 117120735
5-bromo-3-[(sulfinoamino)methyl]-1-benzothiophene
CID 68984698
N-(6-bromo-1H-indol-3-yl)acetamide
CID 70122849
N-[5-bromo-2-(dimethylamino)phenyl]acetamide
CID 60651446
(5-bromo-1-benzothiophen-3-yl)methyl-(2-hydroxyethyl)-methylazanium
CID 6947090
N-[2-(5-bromo-1-benzothiophen-3-yl)ethyl]propan-1-amine
CID 81048729
methyl 5-acetyl-4-(5-bromo-1-benzothiophen-3-yl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate
CID 138594079
(5-bromo-1-benzothiophen-3-yl)methyl-diethylazanium
CID 6947550
potassium 2-acetamido-4-bromobenzoate
CID 170782729

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1-benzothiophen-3-yl)acetamide?
The IUPAC name of N-(5-bromo-1-benzothiophen-3-yl)acetamide (CID 615287) is N-(5-bromo-1-benzothiophen-3-yl)acetamide.
What is the SMILES notation for N-(5-bromo-1-benzothiophen-3-yl)acetamide?
The canonical SMILES for N-(5-bromo-1-benzothiophen-3-yl)acetamide is CC(=O)Nc1csc2ccc(Br)cc12.
What is the InChIKey of N-(5-bromo-1-benzothiophen-3-yl)acetamide?
The InChIKey is XMBGRZPMZMOTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNOS/c1-6(13)12-9-5-14-10-3-2-7(11)4-8(9)10/h2-5H,1H3,(H,12,13).
What are the key properties of N-(5-bromo-1-benzothiophen-3-yl)acetamide?
N-(5-bromo-1-benzothiophen-3-yl)acetamide has a molecular weight of 270.15 g/mol, XLogP of 3.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1-benzothiophen-3-yl)acetamide is sourced from PubChem (CID 615287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).