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

C9H11BrClNOS — CID 107966210

IUPAC5-bromo-N-(4-chlorobutan-2-yl)thiophene-3-carboxamide
SMILESCC(CCCl)NC(=O)c1csc(Br)c1
InChIInChI=1S/C9H11BrClNOS/c1-6(2-3-11)12-9(13)7-4-8(10)14-5-7/h4-6H,2-3H2,1H3,(H,12,13)
InChIKeyZNUBYMLWAFMCTK-UHFFFAOYSA-N
MW296.62 g/mol
LogP3.26
Rot. Bonds4

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

5-bromo-N-(4-chlorobutan-2-yl)thiophene-3-carboxamide (PubChem CID 107966210) has the molecular formula C9H11BrClNOS and a molecular weight of 296.62 g/mol. Its IUPAC name is 5-bromo-N-(4-chlorobutan-2-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4-chlorobutan-2-yl)thiophene-3-carboxamide
PubChem CID107966210
Molecular FormulaC9H11BrClNOS
Molecular Weight296.62 g/mol
Exact Mass294.94
IUPAC Name5-bromo-N-(4-chlorobutan-2-yl)thiophene-3-carboxamide
SMILESCC(CCCl)NC(=O)c1csc(Br)c1
InChIInChI=1S/C9H11BrClNOS/c1-6(2-3-11)12-9(13)7-4-8(10)14-5-7/h4-6H,2-3H2,1H3,(H,12,13)
InChIKeyZNUBYMLWAFMCTK-UHFFFAOYSA-N
XLogP3.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.62
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

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-(1-ethoxypropan-2-yl)thiophene-3-carboxamide
CID 47901542
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
5-bromo-N-(1-iodo-3-methylbutan-2-yl)thiophene-3-carboxamide
CID 107966482
2-[(5-bromothiophene-3-carbonyl)amino]-3-methylbutanoic acid
CID 43354005
methyl 2-[(5-bromothiophene-3-carbonyl)amino]propanoate
CID 60735474
2-[(5-bromothiophene-3-carbonyl)amino]-4-methylpentanoic acid
CID 43353273
5-bromo-N-(3-bromobutyl)thiophene-3-carboxamide
CID 107966140
5-bromo-N-[1-(4-bromophenyl)ethyl]thiophene-3-carboxamide
CID 47159789
5-bromo-N-octan-4-ylthiophene-3-carboxamide
CID 106025537

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-chlorobutan-2-yl)thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-(4-chlorobutan-2-yl)thiophene-3-carboxamide (CID 107966210) is 5-bromo-N-(4-chlorobutan-2-yl)thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(4-chlorobutan-2-yl)thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-(4-chlorobutan-2-yl)thiophene-3-carboxamide is CC(CCCl)NC(=O)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-(4-chlorobutan-2-yl)thiophene-3-carboxamide?
The InChIKey is ZNUBYMLWAFMCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClNOS/c1-6(2-3-11)12-9(13)7-4-8(10)14-5-7/h4-6H,2-3H2,1H3,(H,12,13).
What are the key properties of 5-bromo-N-(4-chlorobutan-2-yl)thiophene-3-carboxamide?
5-bromo-N-(4-chlorobutan-2-yl)thiophene-3-carboxamide has a molecular weight of 296.62 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-chlorobutan-2-yl)thiophene-3-carboxamide is sourced from PubChem (CID 107966210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).