N-(2-amino-2-oxoethyl)-2,5-dibromothiophene-3-carboxamide

C7H6Br2N2O2S — CID 103673208

IUPACN-(2-amino-2-oxoethyl)-2,5-dibromothiophene-3-carboxamide
SMILESNC(=O)CNC(=O)c1cc(Br)sc1Br
InChIInChI=1S/C7H6Br2N2O2S/c8-4-1-3(6(9)14-4)7(13)11-2-5(10)12/h1H,2H2,(H2,10,12)(H,11,13)
InChIKeyMDEQLHSZUHWBIP-UHFFFAOYSA-N
MW342.01 g/mol
LogP1.49
Rot. Bonds3

About N-(2-amino-2-oxoethyl)-2,5-dibromothiophene-3-carboxamide

N-(2-amino-2-oxoethyl)-2,5-dibromothiophene-3-carboxamide (PubChem CID 103673208) has the molecular formula C7H6Br2N2O2S and a molecular weight of 342.01 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2,5-dibromothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2,5-dibromothiophene-3-carboxamide
PubChem CID103673208
Molecular FormulaC7H6Br2N2O2S
Molecular Weight342.01 g/mol
Exact Mass339.85
IUPAC NameN-(2-amino-2-oxoethyl)-2,5-dibromothiophene-3-carboxamide
SMILESNC(=O)CNC(=O)c1cc(Br)sc1Br
InChIInChI=1S/C7H6Br2N2O2S/c8-4-1-3(6(9)14-4)7(13)11-2-5(10)12/h1H,2H2,(H2,10,12)(H,11,13)
InChIKeyMDEQLHSZUHWBIP-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

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Related Compounds

N-[(2E)-2-amino-2-hydroxyiminoethyl]-2,5-dibromothiophene-3-carboxamide
CID 107965114
2,5-dibromo-N-(4-hydroxybutyl)thiophene-3-carboxamide
CID 107168288
N-(2-amino-2-oxoethyl)-4,5-dibromothiophene-2-carboxamide
CID 60668533
2,5-dibromo-N-but-3-enylthiophene-3-carboxamide
CID 107962345
2,5-dibromo-N-(4-iodobutyl)thiophene-3-carboxamide
CID 107966422
N-[[2-(aminomethyl)phenyl]methyl]-2,5-dibromothiophene-3-carboxamide
CID 103806244
2,5-dibromo-N-[2-methyl-3-(methylamino)propyl]thiophene-3-carboxamide
CID 103806921
2,5-dibromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene-3-carboxamide
CID 107962287
2,5-dibromo-N-[[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]methyl]thiophene-3-carboxamide
CID 107965172
2,5-dibromo-N-[[2-(hydroxymethyl)cyclohexyl]methyl]thiophene-3-carboxamide
CID 114021315
2,5-dibromo-N-[2-(2-hydroxyethoxy)ethyl]thiophene-3-carboxamide
CID 103824764
2,5-dibromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-3-carboxamide
CID 107962266

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-2,5-dibromothiophene-3-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2,5-dibromothiophene-3-carboxamide (CID 103673208) is N-(2-amino-2-oxoethyl)-2,5-dibromothiophene-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2,5-dibromothiophene-3-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2,5-dibromothiophene-3-carboxamide is NC(=O)CNC(=O)c1cc(Br)sc1Br.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2,5-dibromothiophene-3-carboxamide?
The InChIKey is MDEQLHSZUHWBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Br2N2O2S/c8-4-1-3(6(9)14-4)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)-2,5-dibromothiophene-3-carboxamide?
N-(2-amino-2-oxoethyl)-2,5-dibromothiophene-3-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)-2,5-dibromothiophene-3-carboxamide is sourced from PubChem (CID 103673208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).