5-bromo-1-benzothiophene-2-carboxamide

C9H6BrNOS — CID 119090366

IUPAC5-bromo-1-benzothiophene-2-carboxamide
SMILESNC(=O)c1cc2cc(Br)ccc2s1
InChIInChI=1S/C9H6BrNOS/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-4H,(H2,11,12)
InChIKeyTUAOQTRXMXRHTF-UHFFFAOYSA-N
MW256.12 g/mol
LogP2.76
Rot. Bonds1

About 5-bromo-1-benzothiophene-2-carboxamide

5-bromo-1-benzothiophene-2-carboxamide (PubChem CID 119090366) has the molecular formula C9H6BrNOS and a molecular weight of 256.12 g/mol. Its IUPAC name is 5-bromo-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-1-benzothiophene-2-carboxamide
PubChem CID119090366
Molecular FormulaC9H6BrNOS
Molecular Weight256.12 g/mol
Exact Mass254.94
IUPAC Name5-bromo-1-benzothiophene-2-carboxamide
SMILESNC(=O)c1cc2cc(Br)ccc2s1
InChIInChI=1S/C9H6BrNOS/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-4H,(H2,11,12)
InChIKeyTUAOQTRXMXRHTF-UHFFFAOYSA-N
XLogP2.76
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.12
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-1-benzothiophen-2-yl)ethanone
CID 617837
1-(5-bromo-1-benzothiophen-2-yl)-2,2-difluoroethanone
CID 171366176
1-(5-bromo-1-benzothiophen-2-yl)-2-chloro-2,2-difluoroethanone
CID 171366120
5-(1,1-difluoroethyl)-1-benzothiophene-2-carboxamide
CID 169171044
butyl 4-(5-bromo-1-benzothiophen-2-yl)-4-oxobutanoate
CID 139559699
5-bromo-2-fluoro-1-benzothiophene
CID 70982915
2-(5-bromo-1-benzothiophen-2-yl)-2-hydroxyacetic acid
CID 115072073
2-amino-1-(6-bromo-1-benzothiophen-2-yl)ethanone
CID 82625549
5-bromo-N-[6-(methylamino)-5,6-dioxohexan-2-yl]-1-benzothiophene-2-carboxamide
CID 177147167
[(6-bromo-2-carbamoyl-1-benzothiophen-5-yl)-difluoromethyl]phosphonic acid
CID 118343178
3-amino-5-bromo-1-benzothiophene-2-carboxamide
CID 59656640
[(6-bromo-2-carbamoyl-1-benzothiophen-5-yl)-difluoromethyl]-iodophosphinic acid
CID 170423732

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-bromo-1-benzothiophene-2-carboxamide (CID 119090366) is 5-bromo-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-bromo-1-benzothiophene-2-carboxamide is NC(=O)c1cc2cc(Br)ccc2s1.
What is the InChIKey of 5-bromo-1-benzothiophene-2-carboxamide?
The InChIKey is TUAOQTRXMXRHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrNOS/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-4H,(H2,11,12).
What are the key properties of 5-bromo-1-benzothiophene-2-carboxamide?
5-bromo-1-benzothiophene-2-carboxamide has a molecular weight of 256.12 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 119090366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).