5-bromo-N-(1-cyclobutylethyl)thiophene-3-carboxamide

C11H14BrNOS — CID 115769121

IUPAC5-bromo-N-(1-cyclobutylethyl)thiophene-3-carboxamide
SMILESCC(NC(=O)c1csc(Br)c1)C1CCC1
InChIInChI=1S/C11H14BrNOS/c1-7(8-3-2-4-8)13-11(14)9-5-10(12)15-6-9/h5-8H,2-4H2,1H3,(H,13,14)
InChIKeyIVJJLOPNQWGKOC-UHFFFAOYSA-N
MW288.21 g/mol
LogP3.43
Rot. Bonds3

About 5-bromo-N-(1-cyclobutylethyl)thiophene-3-carboxamide

5-bromo-N-(1-cyclobutylethyl)thiophene-3-carboxamide (PubChem CID 115769121) has the molecular formula C11H14BrNOS and a molecular weight of 288.21 g/mol. Its IUPAC name is 5-bromo-N-(1-cyclobutylethyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1-cyclobutylethyl)thiophene-3-carboxamide
PubChem CID115769121
Molecular FormulaC11H14BrNOS
Molecular Weight288.21 g/mol
Exact Mass287.00
IUPAC Name5-bromo-N-(1-cyclobutylethyl)thiophene-3-carboxamide
SMILESCC(NC(=O)c1csc(Br)c1)C1CCC1
InChIInChI=1S/C11H14BrNOS/c1-7(8-3-2-4-8)13-11(14)9-5-10(12)15-6-9/h5-8H,2-4H2,1H3,(H,13,14)
InChIKeyIVJJLOPNQWGKOC-UHFFFAOYSA-N
XLogP3.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.21
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(1-piperidin-3-ylethyl)thiophene-3-carboxamide
CID 113265499
5-bromo-N-(3-methylcyclohexyl)thiophene-3-carboxamide
CID 43424605
3-[(5-bromothiophene-3-carbonyl)amino]-3-cyclopropylpropanoic acid
CID 81361728
4-bromo-N-(1-cyclobutylethyl)-3-fluorobenzamide
CID 115769071
N-(1-cyclopropylethyl)-5-nitrothiophene-3-carboxamide
CID 47242608
2-[(5-bromothiophene-3-carbonyl)amino]-3-methylbutanoic acid
CID 43354005
5-bromo-N-(4-bromobutan-2-yl)thiophene-3-carboxamide
CID 107966213
N-[(2S)-1-aminopropan-2-yl]-5-bromothiophene-3-carboxamide
CID 120505953
methyl 2-[(5-bromothiophene-3-carbonyl)amino]propanoate
CID 60735474
5-bromo-N-[1-(4-bromophenyl)ethyl]thiophene-3-carboxamide
CID 47159789
5-bromo-N-(3-oxopentan-2-yl)thiophene-3-carboxamide
CID 107961893
5-bromo-N-(4-hydroxy-3-methylbutan-2-yl)thiophene-3-carboxamide
CID 115734936

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-cyclobutylethyl)thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-(1-cyclobutylethyl)thiophene-3-carboxamide (CID 115769121) is 5-bromo-N-(1-cyclobutylethyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(1-cyclobutylethyl)thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-(1-cyclobutylethyl)thiophene-3-carboxamide is CC(NC(=O)c1csc(Br)c1)C1CCC1.
What is the InChIKey of 5-bromo-N-(1-cyclobutylethyl)thiophene-3-carboxamide?
The InChIKey is IVJJLOPNQWGKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNOS/c1-7(8-3-2-4-8)13-11(14)9-5-10(12)15-6-9/h5-8H,2-4H2,1H3,(H,13,14).
What are the key properties of 5-bromo-N-(1-cyclobutylethyl)thiophene-3-carboxamide?
5-bromo-N-(1-cyclobutylethyl)thiophene-3-carboxamide has a molecular weight of 288.21 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-cyclobutylethyl)thiophene-3-carboxamide is sourced from PubChem (CID 115769121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).