5-bromo-N-(4-hydroxy-3-methylbutan-2-yl)thiophene-3-carboxamide

C10H14BrNO2S — CID 115734936

IUPAC5-bromo-N-(4-hydroxy-3-methylbutan-2-yl)thiophene-3-carboxamide
SMILESCC(CO)C(C)NC(=O)c1csc(Br)c1
InChIInChI=1S/C10H14BrNO2S/c1-6(4-13)7(2)12-10(14)8-3-9(11)15-5-8/h3,5-7,13H,4H2,1-2H3,(H,12,14)
InChIKeyYABGRKIOZHAWSI-UHFFFAOYSA-N
MW292.20 g/mol
LogP2.26
Rot. Bonds4

About 5-bromo-N-(4-hydroxy-3-methylbutan-2-yl)thiophene-3-carboxamide

5-bromo-N-(4-hydroxy-3-methylbutan-2-yl)thiophene-3-carboxamide (PubChem CID 115734936) has the molecular formula C10H14BrNO2S and a molecular weight of 292.20 g/mol. Its IUPAC name is 5-bromo-N-(4-hydroxy-3-methylbutan-2-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4-hydroxy-3-methylbutan-2-yl)thiophene-3-carboxamide
PubChem CID115734936
Molecular FormulaC10H14BrNO2S
Molecular Weight292.20 g/mol
Exact Mass290.99
IUPAC Name5-bromo-N-(4-hydroxy-3-methylbutan-2-yl)thiophene-3-carboxamide
SMILESCC(CO)C(C)NC(=O)c1csc(Br)c1
InChIInChI=1S/C10H14BrNO2S/c1-6(4-13)7(2)12-10(14)8-3-9(11)15-5-8/h3,5-7,13H,4H2,1-2H3,(H,12,14)
InChIKeyYABGRKIOZHAWSI-UHFFFAOYSA-N
XLogP2.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.20
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-5-bromothiophene-3-carboxamide
CID 120505953
5-bromo-N-(4-bromobutan-2-yl)thiophene-3-carboxamide
CID 107966213
2-[(5-bromothiophene-3-carbonyl)amino]-3-hydroxypropanoic acid
CID 43357752
methyl 2-[(5-bromothiophene-3-carbonyl)amino]-3-hydroxypropanoate
CID 43623494
5-bromo-N-(3-oxopentan-2-yl)thiophene-3-carboxamide
CID 107961893
5-bromo-N-(4-chlorobutan-2-yl)thiophene-3-carboxamide
CID 107966210
5-bromo-N-(1-ethoxypropan-2-yl)thiophene-3-carboxamide
CID 47901542
5-bromo-N-(1-iodo-3-methylbutan-2-yl)thiophene-3-carboxamide
CID 107966482
5-bromo-N-[(1S)-2-hydroxy-1-phenylethyl]thiophene-3-carboxamide
CID 95026928
2-[(5-bromothiophene-3-carbonyl)amino]-3-methylbutanoic acid
CID 43354005
3-bromo-N-[(2R,3R)-4-hydroxy-3-methylbutan-2-yl]-5-methylbenzamide
CID 99636875
methyl 2-[(5-bromothiophene-3-carbonyl)amino]propanoate
CID 60735474

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-hydroxy-3-methylbutan-2-yl)thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-(4-hydroxy-3-methylbutan-2-yl)thiophene-3-carboxamide (CID 115734936) is 5-bromo-N-(4-hydroxy-3-methylbutan-2-yl)thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(4-hydroxy-3-methylbutan-2-yl)thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-(4-hydroxy-3-methylbutan-2-yl)thiophene-3-carboxamide is CC(CO)C(C)NC(=O)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-(4-hydroxy-3-methylbutan-2-yl)thiophene-3-carboxamide?
The InChIKey is YABGRKIOZHAWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2S/c1-6(4-13)7(2)12-10(14)8-3-9(11)15-5-8/h3,5-7,13H,4H2,1-2H3,(H,12,14).
What are the key properties of 5-bromo-N-(4-hydroxy-3-methylbutan-2-yl)thiophene-3-carboxamide?
5-bromo-N-(4-hydroxy-3-methylbutan-2-yl)thiophene-3-carboxamide has a molecular weight of 292.20 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-hydroxy-3-methylbutan-2-yl)thiophene-3-carboxamide is sourced from PubChem (CID 115734936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).