5-bromo-N-(3-hydroxy-2-methylbutan-2-yl)thiophene-3-carboxamide

C10H14BrNO2S — CID 115884352

IUPAC5-bromo-N-(3-hydroxy-2-methylbutan-2-yl)thiophene-3-carboxamide
SMILESCC(O)C(C)(C)NC(=O)c1csc(Br)c1
InChIInChI=1S/C10H14BrNO2S/c1-6(13)10(2,3)12-9(14)7-4-8(11)15-5-7/h4-6,13H,1-3H3,(H,12,14)
InChIKeyVFSCCBMBXGHSNL-UHFFFAOYSA-N
MW292.20 g/mol
LogP2.40
Rot. Bonds3

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

5-bromo-N-(3-hydroxy-2-methylbutan-2-yl)thiophene-3-carboxamide (PubChem CID 115884352) has the molecular formula C10H14BrNO2S and a molecular weight of 292.20 g/mol. Its IUPAC name is 5-bromo-N-(3-hydroxy-2-methylbutan-2-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-hydroxy-2-methylbutan-2-yl)thiophene-3-carboxamide
PubChem CID115884352
Molecular FormulaC10H14BrNO2S
Molecular Weight292.20 g/mol
Exact Mass290.99
IUPAC Name5-bromo-N-(3-hydroxy-2-methylbutan-2-yl)thiophene-3-carboxamide
SMILESCC(O)C(C)(C)NC(=O)c1csc(Br)c1
InChIInChI=1S/C10H14BrNO2S/c1-6(13)10(2,3)12-9(14)7-4-8(11)15-5-7/h4-6,13H,1-3H3,(H,12,14)
InChIKeyVFSCCBMBXGHSNL-UHFFFAOYSA-N
XLogP2.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.20
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-bromothiophene-3-carboxamide
CID 61219456
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CID 115884425
5-bromo-N-(2-hydroxypropyl)thiophene-3-carboxamide
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5-bromo-N-(2,3,3-trimethylbutyl)thiophene-3-carboxamide
CID 78965929
5-bromo-N-(1-hydroxy-2-methylbutan-2-yl)thiophene-3-carboxamide
CID 64557581
5-bromo-N-(1-bromo-2-methylbutan-2-yl)thiophene-3-carboxamide
CID 107966156
5-bromo-N-(2-hydroxy-2,3-dimethylbutyl)thiophene-3-carboxamide
CID 111483887
5-bromo-N-[1-(4-tert-butylphenyl)ethyl]thiophene-3-carboxamide
CID 63523702
5-bromo-N-[3-(chloromethyl)pentan-3-yl]thiophene-3-carboxamide
CID 107966069
5-bromo-N-(2,2-dimethyl-1-phenylpropyl)thiophene-3-carboxamide
CID 63523884
N-[(2S)-1-aminopropan-2-yl]-5-bromothiophene-3-carboxamide
CID 120505953
5-bromo-N-(4-bromobutan-2-yl)thiophene-3-carboxamide
CID 107966213

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-hydroxy-2-methylbutan-2-yl)thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-(3-hydroxy-2-methylbutan-2-yl)thiophene-3-carboxamide (CID 115884352) is 5-bromo-N-(3-hydroxy-2-methylbutan-2-yl)thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-hydroxy-2-methylbutan-2-yl)thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-(3-hydroxy-2-methylbutan-2-yl)thiophene-3-carboxamide is CC(O)C(C)(C)NC(=O)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-(3-hydroxy-2-methylbutan-2-yl)thiophene-3-carboxamide?
The InChIKey is VFSCCBMBXGHSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2S/c1-6(13)10(2,3)12-9(14)7-4-8(11)15-5-7/h4-6,13H,1-3H3,(H,12,14).
What are the key properties of 5-bromo-N-(3-hydroxy-2-methylbutan-2-yl)thiophene-3-carboxamide?
5-bromo-N-(3-hydroxy-2-methylbutan-2-yl)thiophene-3-carboxamide has a molecular weight of 292.20 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-hydroxy-2-methylbutan-2-yl)thiophene-3-carboxamide is sourced from PubChem (CID 115884352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).