5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-carboxamide

C11H16BrNO2S — CID 61247480

IUPAC5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-carboxamide
SMILESCC(C)CC(CO)NC(=O)c1ccc(Br)s1
InChIInChI=1S/C11H16BrNO2S/c1-7(2)5-8(6-14)13-11(15)9-3-4-10(12)16-9/h3-4,7-8,14H,5-6H2,1-2H3,(H,13,15)
InChIKeyUHZZKZJOIKGUQS-UHFFFAOYSA-N
MW306.23 g/mol
LogP2.65
Rot. Bonds5

About 5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-carboxamide

5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-carboxamide (PubChem CID 61247480) has the molecular formula C11H16BrNO2S and a molecular weight of 306.23 g/mol. Its IUPAC name is 5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-carboxamide
PubChem CID61247480
Molecular FormulaC11H16BrNO2S
Molecular Weight306.23 g/mol
Exact Mass305.01
IUPAC Name5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-carboxamide
SMILESCC(C)CC(CO)NC(=O)c1ccc(Br)s1
InChIInChI=1S/C11H16BrNO2S/c1-7(2)5-8(6-14)13-11(15)9-3-4-10(12)16-9/h3-4,7-8,14H,5-6H2,1-2H3,(H,13,15)
InChIKeyUHZZKZJOIKGUQS-UHFFFAOYSA-N
XLogP2.65
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.23
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[(2S)-1-hydroxybutan-2-yl]thiophene-2-carboxamide
CID 104981493
5-chloro-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-carboxamide
CID 61247076
5-bromo-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 95040081
5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)-4-methylthiophene-2-carboxamide
CID 79990049
5-bromo-N-(3-oxobutan-2-yl)thiophene-2-carboxamide
CID 64997082
N-(1-aminobutan-2-yl)-5-bromothiophene-2-carboxamide
CID 65193455
5-bromo-N-[1-[methyl(4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55830189
5-bromo-N-(2-methylpropoxy)thiophene-2-carboxamide
CID 115409767
5-bromo-N-(1-chloro-3-methylbutan-2-yl)thiophene-2-carboxamide
CID 114305407
N-[1-(2-aminoethylamino)-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride
CID 119384927
5-bromo-N-hex-5-yn-3-ylthiophene-2-carboxamide
CID 115647089
5-bromo-N-[1-[(3-methyl-1-thiophen-2-ylbutyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55977452

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-carboxamide (CID 61247480) is 5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-carboxamide is CC(C)CC(CO)NC(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-carboxamide?
The InChIKey is UHZZKZJOIKGUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2S/c1-7(2)5-8(6-14)13-11(15)9-3-4-10(12)16-9/h3-4,7-8,14H,5-6H2,1-2H3,(H,13,15).
What are the key properties of 5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-carboxamide?
5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-carboxamide has a molecular weight of 306.23 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 61247480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).