N-(2-amino-2-oxoethyl)-5-bromo-N-methylthiophene-3-carboxamide

C8H9BrN2O2S — CID 43612157

IUPACN-(2-amino-2-oxoethyl)-5-bromo-N-methylthiophene-3-carboxamide
SMILESCN(CC(N)=O)C(=O)c1csc(Br)c1
InChIInChI=1S/C8H9BrN2O2S/c1-11(3-7(10)12)8(13)5-2-6(9)14-4-5/h2,4H,3H2,1H3,(H2,10,12)
InChIKeySTZKGCOMTONSNJ-UHFFFAOYSA-N
MW277.14 g/mol
LogP1.07
Rot. Bonds3

About N-(2-amino-2-oxoethyl)-5-bromo-N-methylthiophene-3-carboxamide

N-(2-amino-2-oxoethyl)-5-bromo-N-methylthiophene-3-carboxamide (PubChem CID 43612157) has the molecular formula C8H9BrN2O2S and a molecular weight of 277.14 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-5-bromo-N-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-5-bromo-N-methylthiophene-3-carboxamide
PubChem CID43612157
Molecular FormulaC8H9BrN2O2S
Molecular Weight277.14 g/mol
Exact Mass275.96
IUPAC NameN-(2-amino-2-oxoethyl)-5-bromo-N-methylthiophene-3-carboxamide
SMILESCN(CC(N)=O)C(=O)c1csc(Br)c1
InChIInChI=1S/C8H9BrN2O2S/c1-11(3-7(10)12)8(13)5-2-6(9)14-4-5/h2,4H,3H2,1H3,(H2,10,12)
InChIKeySTZKGCOMTONSNJ-UHFFFAOYSA-N
XLogP1.07
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.14
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-5-bromo-N-methylthiophene-3-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-5-bromo-N-methylthiophene-3-carboxamide (CID 43612157) is N-(2-amino-2-oxoethyl)-5-bromo-N-methylthiophene-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-5-bromo-N-methylthiophene-3-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-5-bromo-N-methylthiophene-3-carboxamide is CN(CC(N)=O)C(=O)c1csc(Br)c1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-5-bromo-N-methylthiophene-3-carboxamide?
The InChIKey is STZKGCOMTONSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O2S/c1-11(3-7(10)12)8(13)5-2-6(9)14-4-5/h2,4H,3H2,1H3,(H2,10,12).
What are the key properties of N-(2-amino-2-oxoethyl)-5-bromo-N-methylthiophene-3-carboxamide?
N-(2-amino-2-oxoethyl)-5-bromo-N-methylthiophene-3-carboxamide has a molecular weight of 277.14 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-5-bromo-N-methylthiophene-3-carboxamide is sourced from PubChem (CID 43612157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).