5-bromo-N,N-dimethyl-1-benzothiophene-2-carboxamide

C11H10BrNOS — CID 1474474

IUPAC5-bromo-N,N-dimethyl-1-benzothiophene-2-carboxamide
SMILESCN(C)C(=O)c1cc2cc(Br)ccc2s1
InChIInChI=1S/C11H10BrNOS/c1-13(2)11(14)10-6-7-5-8(12)3-4-9(7)15-10/h3-6H,1-2H3
InChIKeyBPCOOALILINGHS-UHFFFAOYSA-N
MW284.18 g/mol
LogP3.37
Rot. Bonds1

About 5-bromo-N,N-dimethyl-1-benzothiophene-2-carboxamide

5-bromo-N,N-dimethyl-1-benzothiophene-2-carboxamide (PubChem CID 1474474) has the molecular formula C11H10BrNOS and a molecular weight of 284.18 g/mol. Its IUPAC name is 5-bromo-N,N-dimethyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N,N-dimethyl-1-benzothiophene-2-carboxamide
PubChem CID1474474
Molecular FormulaC11H10BrNOS
Molecular Weight284.18 g/mol
Exact Mass282.97
IUPAC Name5-bromo-N,N-dimethyl-1-benzothiophene-2-carboxamide
SMILESCN(C)C(=O)c1cc2cc(Br)ccc2s1
InChIInChI=1S/C11H10BrNOS/c1-13(2)11(14)10-6-7-5-8(12)3-4-9(7)15-10/h3-6H,1-2H3
InChIKeyBPCOOALILINGHS-UHFFFAOYSA-N
XLogP3.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.18
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,N-dimethyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-bromo-N,N-dimethyl-1-benzothiophene-2-carboxamide (CID 1474474) is 5-bromo-N,N-dimethyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N,N-dimethyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N,N-dimethyl-1-benzothiophene-2-carboxamide is CN(C)C(=O)c1cc2cc(Br)ccc2s1.
What is the InChIKey of 5-bromo-N,N-dimethyl-1-benzothiophene-2-carboxamide?
The InChIKey is BPCOOALILINGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNOS/c1-13(2)11(14)10-6-7-5-8(12)3-4-9(7)15-10/h3-6H,1-2H3.
What are the key properties of 5-bromo-N,N-dimethyl-1-benzothiophene-2-carboxamide?
5-bromo-N,N-dimethyl-1-benzothiophene-2-carboxamide has a molecular weight of 284.18 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,N-dimethyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 1474474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).