N-(2-amino-2-oxoethyl)-4,5-dibromothiophene-2-carboxamide

C7H6Br2N2O2S — CID 60668533

IUPACN-(2-amino-2-oxoethyl)-4,5-dibromothiophene-2-carboxamide
SMILESNC(=O)CNC(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C7H6Br2N2O2S/c8-3-1-4(14-6(3)9)7(13)11-2-5(10)12/h1H,2H2,(H2,10,12)(H,11,13)
InChIKeyMNYDHVKPJKXBRO-UHFFFAOYSA-N
MW342.01 g/mol
LogP1.49
Rot. Bonds3

About N-(2-amino-2-oxoethyl)-4,5-dibromothiophene-2-carboxamide

N-(2-amino-2-oxoethyl)-4,5-dibromothiophene-2-carboxamide (PubChem CID 60668533) has the molecular formula C7H6Br2N2O2S and a molecular weight of 342.01 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-4,5-dibromothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-4,5-dibromothiophene-2-carboxamide
PubChem CID60668533
Molecular FormulaC7H6Br2N2O2S
Molecular Weight342.01 g/mol
Exact Mass339.85
IUPAC NameN-(2-amino-2-oxoethyl)-4,5-dibromothiophene-2-carboxamide
SMILESNC(=O)CNC(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C7H6Br2N2O2S/c8-3-1-4(14-6(3)9)7(13)11-2-5(10)12/h1H,2H2,(H2,10,12)(H,11,13)
InChIKeyMNYDHVKPJKXBRO-UHFFFAOYSA-N
XLogP1.49
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.01
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-amino-2-oxoethyl)-4,5-dibromothiophene-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

N-(2-amino-2-hydroxyiminoethyl)-4,5-dibromothiophene-2-carboxamide
CID 80538790
4,5-dibromo-N-(2-bromoprop-2-enyl)thiophene-2-carboxamide
CID 47439346
N-(2-amino-2-oxoethoxy)-4,5-dibromothiophene-2-carboxamide
CID 112551114
N-(3-aminopropyl)-4,5-dibromothiophene-2-carboxamide
CID 80537023
N-(4-amino-4-oxobutan-2-yl)-4,5-dibromothiophene-2-carboxamide
CID 115649755
4,5-dibromo-N-butylthiophene-2-carboxamide
CID 29203844
N-(2-amino-2-oxoethyl)-2,5-dibromothiophene-3-carboxamide
CID 103673208
4,5-dibromo-N-(3,3-dimethylbutyl)thiophene-2-carboxamide
CID 38983446
(2S)-3-[(4,5-dibromothiophene-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 107833654
4,5-dibromo-N-[(4-bromophenyl)methyl]thiophene-2-carboxamide
CID 80536714
N-[4-(2-amino-2-oxoethyl)phenyl]-4,5-dibromothiophene-2-carboxamide
CID 39280552
4,5-dibromo-N-[(3-carbamoylphenyl)methyl]thiophene-2-carboxamide
CID 32636145

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-4,5-dibromothiophene-2-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-4,5-dibromothiophene-2-carboxamide (CID 60668533) is N-(2-amino-2-oxoethyl)-4,5-dibromothiophene-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-4,5-dibromothiophene-2-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-4,5-dibromothiophene-2-carboxamide is NC(=O)CNC(=O)c1cc(Br)c(Br)s1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-4,5-dibromothiophene-2-carboxamide?
The InChIKey is MNYDHVKPJKXBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Br2N2O2S/c8-3-1-4(14-6(3)9)7(13)11-2-5(10)12/h1H,2H2,(H2,10,12)(H,11,13).
What are the key properties of N-(2-amino-2-oxoethyl)-4,5-dibromothiophene-2-carboxamide?
N-(2-amino-2-oxoethyl)-4,5-dibromothiophene-2-carboxamide has a molecular weight of 342.01 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-4,5-dibromothiophene-2-carboxamide is sourced from PubChem (CID 60668533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).