N-(2-amino-2-oxoethyl)-4,5-dibromo-N-(2-methylpropyl)thiophene-2-carboxamide

C11H14Br2N2O2S — CID 78991790

IUPACN-(2-amino-2-oxoethyl)-4,5-dibromo-N-(2-methylpropyl)thiophene-2-carboxamide
SMILESCC(C)CN(CC(N)=O)C(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C11H14Br2N2O2S/c1-6(2)4-15(5-9(14)16)11(17)8-3-7(12)10(13)18-8/h3,6H,4-5H2,1-2H3,(H2,14,16)
InChIKeyVDGBRRBGPWNGGR-UHFFFAOYSA-N
MW398.12 g/mol
LogP2.86
Rot. Bonds5

About N-(2-amino-2-oxoethyl)-4,5-dibromo-N-(2-methylpropyl)thiophene-2-carboxamide

N-(2-amino-2-oxoethyl)-4,5-dibromo-N-(2-methylpropyl)thiophene-2-carboxamide (PubChem CID 78991790) has the molecular formula C11H14Br2N2O2S and a molecular weight of 398.12 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-4,5-dibromo-N-(2-methylpropyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-4,5-dibromo-N-(2-methylpropyl)thiophene-2-carboxamide
PubChem CID78991790
Molecular FormulaC11H14Br2N2O2S
Molecular Weight398.12 g/mol
Exact Mass395.91
IUPAC NameN-(2-amino-2-oxoethyl)-4,5-dibromo-N-(2-methylpropyl)thiophene-2-carboxamide
SMILESCC(C)CN(CC(N)=O)C(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C11H14Br2N2O2S/c1-6(2)4-15(5-9(14)16)11(17)8-3-7(12)10(13)18-8/h3,6H,4-5H2,1-2H3,(H2,14,16)
InChIKeyVDGBRRBGPWNGGR-UHFFFAOYSA-N
XLogP2.86
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.12
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dibromo-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)thiophene-2-carboxamide
CID 78968207
4-amino-N-(2-amino-2-oxoethyl)-5-methyl-N-(2-methylpropyl)thiophene-2-carboxamide
CID 61109174
N-(2-amino-2-oxoethyl)-5-(3-aminoprop-1-ynyl)-4-methyl-N-(2-methylpropyl)thiophene-2-carboxamide
CID 79998100
4-amino-N-(2-amino-2-oxoethyl)-1-methyl-N-(2-methylpropyl)pyrrole-2-carboxamide
CID 61110497
N-(2-amino-2-oxoethyl)-5-chloro-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625287
4,5-dibromo-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]thiophene-2-carboxamide
CID 40727971
ethyl 2-[(4,5-dibromothiophene-2-carbonyl)-propan-2-ylamino]acetate
CID 54896302
N-(2-amino-2-oxoethyl)-5-bromo-2-fluoro-N-(2-methylpropyl)benzamide
CID 60732695
4,5-dibromo-N,N-bis(cyanomethyl)thiophene-2-carboxamide
CID 112723253
N-(4-amino-4-oxobutan-2-yl)-4,5-dibromothiophene-2-carboxamide
CID 115649755
4,5-dibromo-N-propan-2-yl-N-propylthiophene-2-carboxamide
CID 80536635
N-(3-aminopropyl)-4,5-dibromo-N-methylthiophene-2-carboxamide
CID 81483467

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-4,5-dibromo-N-(2-methylpropyl)thiophene-2-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-4,5-dibromo-N-(2-methylpropyl)thiophene-2-carboxamide (CID 78991790) is N-(2-amino-2-oxoethyl)-4,5-dibromo-N-(2-methylpropyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-4,5-dibromo-N-(2-methylpropyl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-4,5-dibromo-N-(2-methylpropyl)thiophene-2-carboxamide is CC(C)CN(CC(N)=O)C(=O)c1cc(Br)c(Br)s1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-4,5-dibromo-N-(2-methylpropyl)thiophene-2-carboxamide?
The InChIKey is VDGBRRBGPWNGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Br2N2O2S/c1-6(2)4-15(5-9(14)16)11(17)8-3-7(12)10(13)18-8/h3,6H,4-5H2,1-2H3,(H2,14,16).
What are the key properties of N-(2-amino-2-oxoethyl)-4,5-dibromo-N-(2-methylpropyl)thiophene-2-carboxamide?
N-(2-amino-2-oxoethyl)-4,5-dibromo-N-(2-methylpropyl)thiophene-2-carboxamide has a molecular weight of 398.12 g/mol, XLogP of 2.86, 5 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)-4,5-dibromo-N-(2-methylpropyl)thiophene-2-carboxamide is sourced from PubChem (CID 78991790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).