5-bromo-N-methyl-1-benzothiophene-2-carboxamide

C10H8BrNOS — CID 1474475

IUPAC5-bromo-N-methyl-1-benzothiophene-2-carboxamide
SMILESCNC(=O)c1cc2cc(Br)ccc2s1
InChIInChI=1S/C10H8BrNOS/c1-12-10(13)9-5-6-4-7(11)2-3-8(6)14-9/h2-5H,1H3,(H,12,13)
InChIKeyOFKFDDBFLFVZFD-UHFFFAOYSA-N
MW270.15 g/mol
LogP3.02
Rot. Bonds1

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

5-bromo-N-methyl-1-benzothiophene-2-carboxamide (PubChem CID 1474475) has the molecular formula C10H8BrNOS and a molecular weight of 270.15 g/mol. Its IUPAC name is 5-bromo-N-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-methyl-1-benzothiophene-2-carboxamide
PubChem CID1474475
Molecular FormulaC10H8BrNOS
Molecular Weight270.15 g/mol
Exact Mass268.95
IUPAC Name5-bromo-N-methyl-1-benzothiophene-2-carboxamide
SMILESCNC(=O)c1cc2cc(Br)ccc2s1
InChIInChI=1S/C10H8BrNOS/c1-12-10(13)9-5-6-4-7(11)2-3-8(6)14-9/h2-5H,1H3,(H,12,13)
InChIKeyOFKFDDBFLFVZFD-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-methyl-1-benzothiophene-2-carboxamide (CID 1474475) is 5-bromo-N-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-methyl-1-benzothiophene-2-carboxamide is CNC(=O)c1cc2cc(Br)ccc2s1.
What is the InChIKey of 5-bromo-N-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is OFKFDDBFLFVZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNOS/c1-12-10(13)9-5-6-4-7(11)2-3-8(6)14-9/h2-5H,1H3,(H,12,13).
What are the key properties of 5-bromo-N-methyl-1-benzothiophene-2-carboxamide?
5-bromo-N-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 270.15 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 1474475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).