N-(2-amino-2-oxoethyl)-3-bromo-N-ethylthiophene-2-carboxamide

C9H11BrN2O2S — CID 103102639

IUPACN-(2-amino-2-oxoethyl)-3-bromo-N-ethylthiophene-2-carboxamide
SMILESCCN(CC(N)=O)C(=O)c1sccc1Br
InChIInChI=1S/C9H11BrN2O2S/c1-2-12(5-7(11)13)9(14)8-6(10)3-4-15-8/h3-4H,2,5H2,1H3,(H2,11,13)
InChIKeyHJGTXCFWGZHVAB-UHFFFAOYSA-N
MW291.17 g/mol
LogP1.46
Rot. Bonds4

About N-(2-amino-2-oxoethyl)-3-bromo-N-ethylthiophene-2-carboxamide

N-(2-amino-2-oxoethyl)-3-bromo-N-ethylthiophene-2-carboxamide (PubChem CID 103102639) has the molecular formula C9H11BrN2O2S and a molecular weight of 291.17 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-3-bromo-N-ethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-3-bromo-N-ethylthiophene-2-carboxamide
PubChem CID103102639
Molecular FormulaC9H11BrN2O2S
Molecular Weight291.17 g/mol
Exact Mass289.97
IUPAC NameN-(2-amino-2-oxoethyl)-3-bromo-N-ethylthiophene-2-carboxamide
SMILESCCN(CC(N)=O)C(=O)c1sccc1Br
InChIInChI=1S/C9H11BrN2O2S/c1-2-12(5-7(11)13)9(14)8-6(10)3-4-15-8/h3-4H,2,5H2,1H3,(H2,11,13)
InChIKeyHJGTXCFWGZHVAB-UHFFFAOYSA-N
XLogP1.46
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.17
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-amino-2-oxoethyl)-3-bromo-N-ethylthiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-(2-amino-2-oxoethyl)-N-ethylthiophene-2-carboxamide
CID 103100919
3-bromo-N,N-dipropylthiophene-2-carboxamide
CID 55028228
3-bromo-N-[3-(dimethylamino)propyl]-N-ethylthiophene-2-carboxamide
CID 102978871
N-(2-amino-2-oxoethyl)-2-bromo-N-ethylbenzamide
CID 103102660
3-bromo-N-(2-hydroxyethyl)-N-propylthiophene-2-carboxamide
CID 60778343
N-(2-amino-2-oxoethyl)-2-bromo-N-ethyl-5-methoxybenzamide
CID 103102621
3-bromo-N-propylthiophene-2-carboxamide
CID 58831720
3-bromo-N-ethyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide
CID 106609503
3-bromo-N-propyl-N-prop-2-ynylthiophene-2-carboxamide
CID 78970456
3-bromo-N-butyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 60778389
N-(1-aminopropan-2-yl)-3-bromo-N-methylthiophene-2-carboxamide;hydrochloride
CID 119583431
3-bromo-N-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]thiophene-2-carboxamide
CID 119034216

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-3-bromo-N-ethylthiophene-2-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-3-bromo-N-ethylthiophene-2-carboxamide (CID 103102639) is N-(2-amino-2-oxoethyl)-3-bromo-N-ethylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-3-bromo-N-ethylthiophene-2-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-3-bromo-N-ethylthiophene-2-carboxamide is CCN(CC(N)=O)C(=O)c1sccc1Br.
What is the InChIKey of N-(2-amino-2-oxoethyl)-3-bromo-N-ethylthiophene-2-carboxamide?
The InChIKey is HJGTXCFWGZHVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2S/c1-2-12(5-7(11)13)9(14)8-6(10)3-4-15-8/h3-4H,2,5H2,1H3,(H2,11,13).
What are the key properties of N-(2-amino-2-oxoethyl)-3-bromo-N-ethylthiophene-2-carboxamide?
N-(2-amino-2-oxoethyl)-3-bromo-N-ethylthiophene-2-carboxamide has a molecular weight of 291.17 g/mol, XLogP of 1.46, 4 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)-3-bromo-N-ethylthiophene-2-carboxamide is sourced from PubChem (CID 103102639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).