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

C10H12BrNO2S — CID 107961893

IUPAC5-bromo-N-(3-oxopentan-2-yl)thiophene-3-carboxamide
SMILESCCC(=O)C(C)NC(=O)c1csc(Br)c1
InChIInChI=1S/C10H12BrNO2S/c1-3-8(13)6(2)12-10(14)7-4-9(11)15-5-7/h4-6H,3H2,1-2H3,(H,12,14)
InChIKeyXGDJJEJWDVWOTI-UHFFFAOYSA-N
MW290.18 g/mol
LogP2.61
Rot. Bonds4

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

5-bromo-N-(3-oxopentan-2-yl)thiophene-3-carboxamide (PubChem CID 107961893) has the molecular formula C10H12BrNO2S and a molecular weight of 290.18 g/mol. Its IUPAC name is 5-bromo-N-(3-oxopentan-2-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-oxopentan-2-yl)thiophene-3-carboxamide
PubChem CID107961893
Molecular FormulaC10H12BrNO2S
Molecular Weight290.18 g/mol
Exact Mass288.98
IUPAC Name5-bromo-N-(3-oxopentan-2-yl)thiophene-3-carboxamide
SMILESCCC(=O)C(C)NC(=O)c1csc(Br)c1
InChIInChI=1S/C10H12BrNO2S/c1-3-8(13)6(2)12-10(14)7-4-9(11)15-5-7/h4-6H,3H2,1-2H3,(H,12,14)
InChIKeyXGDJJEJWDVWOTI-UHFFFAOYSA-N
XLogP2.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-iodo-N-(3-oxopentan-2-yl)thiophene-3-carboxamide
CID 79692763
methyl 2-[(5-bromothiophene-3-carbonyl)amino]propanoate
CID 60735474
5-bromo-N-(4-bromobutan-2-yl)thiophene-3-carboxamide
CID 107966213
N-[(2S)-1-aminopropan-2-yl]-5-bromothiophene-3-carboxamide
CID 120505953
5-bromo-N-(4-hydroxy-3-methylbutan-2-yl)thiophene-3-carboxamide
CID 115734936
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
3-bromo-5-methyl-N-(3-oxopentan-2-yl)benzamide
CID 104851606
2-[(5-bromothiophene-3-carbonyl)amino]-3-methylbutanoic acid
CID 43354005
2-[(5-bromothiophene-3-carbonyl)amino]-4-methylpentanoic acid
CID 43353273
5-bromo-N-[1-(4-bromophenyl)ethyl]thiophene-3-carboxamide
CID 47159789

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-oxopentan-2-yl)thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-(3-oxopentan-2-yl)thiophene-3-carboxamide (CID 107961893) is 5-bromo-N-(3-oxopentan-2-yl)thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-oxopentan-2-yl)thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-(3-oxopentan-2-yl)thiophene-3-carboxamide is CCC(=O)C(C)NC(=O)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-(3-oxopentan-2-yl)thiophene-3-carboxamide?
The InChIKey is XGDJJEJWDVWOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2S/c1-3-8(13)6(2)12-10(14)7-4-9(11)15-5-7/h4-6H,3H2,1-2H3,(H,12,14).
What are the key properties of 5-bromo-N-(3-oxopentan-2-yl)thiophene-3-carboxamide?
5-bromo-N-(3-oxopentan-2-yl)thiophene-3-carboxamide has a molecular weight of 290.18 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-oxopentan-2-yl)thiophene-3-carboxamide is sourced from PubChem (CID 107961893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).