5-bromo-N-(3-oxobutan-2-yl)thiophene-2-carboxamide

C9H10BrNO2S — CID 64997082

IUPAC5-bromo-N-(3-oxobutan-2-yl)thiophene-2-carboxamide
SMILESCC(=O)C(C)NC(=O)c1ccc(Br)s1
InChIInChI=1S/C9H10BrNO2S/c1-5(6(2)12)11-9(13)7-3-4-8(10)14-7/h3-5H,1-2H3,(H,11,13)
InChIKeyPXBBISKJWVKWGI-UHFFFAOYSA-N
MW276.16 g/mol
LogP2.22
Rot. Bonds3

About 5-bromo-N-(3-oxobutan-2-yl)thiophene-2-carboxamide

5-bromo-N-(3-oxobutan-2-yl)thiophene-2-carboxamide (PubChem CID 64997082) has the molecular formula C9H10BrNO2S and a molecular weight of 276.16 g/mol. Its IUPAC name is 5-bromo-N-(3-oxobutan-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-oxobutan-2-yl)thiophene-2-carboxamide
PubChem CID64997082
Molecular FormulaC9H10BrNO2S
Molecular Weight276.16 g/mol
Exact Mass274.96
IUPAC Name5-bromo-N-(3-oxobutan-2-yl)thiophene-2-carboxamide
SMILESCC(=O)C(C)NC(=O)c1ccc(Br)s1
InChIInChI=1S/C9H10BrNO2S/c1-5(6(2)12)11-9(13)7-3-4-8(10)14-7/h3-5H,1-2H3,(H,11,13)
InChIKeyPXBBISKJWVKWGI-UHFFFAOYSA-N
XLogP2.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.16
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-N-(3-oxobutan-2-yl)thiophene-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

5-bromo-N-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 94193223
N-[1-(2-aminoethylamino)-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride
CID 119384927
5-bromo-N-(1-cyanoethyl)thiophene-2-carboxamide
CID 61121832
5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-carboxamide
CID 61247480
2-[2-[(5-bromothiophene-2-carbonyl)amino]propanoylamino]-2-methylbutanoic acid
CID 119199151
5-bromo-N-(2-methylpropoxy)thiophene-2-carboxamide
CID 115409767
5-bromo-N-[1-(4-bromophenyl)ethyl]thiophene-2-carboxamide
CID 47097752
5-bromo-N-[1-(4-iodoanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55831882
5-bromo-N-[(2S)-1-oxo-1-[[(2S)-4-oxo-4-(propan-2-ylamino)butan-2-yl]amino]propan-2-yl]thiophene-2-carboxamide
CID 95778028
5-bromo-N-(1-chloro-3-methylbutan-2-yl)thiophene-2-carboxamide
CID 114305407
(2S,3S)-2-[2-[(5-bromothiophene-2-carbonyl)amino]propanoylamino]-3-methylpentanoic acid
CID 119193926
5-bromo-N-[1-[2-(methylamino)propylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 120827801

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-oxobutan-2-yl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(3-oxobutan-2-yl)thiophene-2-carboxamide (CID 64997082) is 5-bromo-N-(3-oxobutan-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-oxobutan-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(3-oxobutan-2-yl)thiophene-2-carboxamide is CC(=O)C(C)NC(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(3-oxobutan-2-yl)thiophene-2-carboxamide?
The InChIKey is PXBBISKJWVKWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO2S/c1-5(6(2)12)11-9(13)7-3-4-8(10)14-7/h3-5H,1-2H3,(H,11,13).
What are the key properties of 5-bromo-N-(3-oxobutan-2-yl)thiophene-2-carboxamide?
5-bromo-N-(3-oxobutan-2-yl)thiophene-2-carboxamide has a molecular weight of 276.16 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-oxobutan-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 64997082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).