5-bromo-N-(1-bromo-2-methylbutan-2-yl)thiophene-3-carboxamide

C10H13Br2NOS — CID 107966156

IUPAC5-bromo-N-(1-bromo-2-methylbutan-2-yl)thiophene-3-carboxamide
SMILESCCC(C)(CBr)NC(=O)c1csc(Br)c1
InChIInChI=1S/C10H13Br2NOS/c1-3-10(2,6-11)13-9(14)7-4-8(12)15-5-7/h4-5H,3,6H2,1-2H3,(H,13,14)
InChIKeyCDSXGTPOGITRSP-UHFFFAOYSA-N
MW355.10 g/mol
LogP3.80
Rot. Bonds4

About 5-bromo-N-(1-bromo-2-methylbutan-2-yl)thiophene-3-carboxamide

5-bromo-N-(1-bromo-2-methylbutan-2-yl)thiophene-3-carboxamide (PubChem CID 107966156) has the molecular formula C10H13Br2NOS and a molecular weight of 355.10 g/mol. Its IUPAC name is 5-bromo-N-(1-bromo-2-methylbutan-2-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1-bromo-2-methylbutan-2-yl)thiophene-3-carboxamide
PubChem CID107966156
Molecular FormulaC10H13Br2NOS
Molecular Weight355.10 g/mol
Exact Mass352.91
IUPAC Name5-bromo-N-(1-bromo-2-methylbutan-2-yl)thiophene-3-carboxamide
SMILESCCC(C)(CBr)NC(=O)c1csc(Br)c1
InChIInChI=1S/C10H13Br2NOS/c1-3-10(2,6-11)13-9(14)7-4-8(12)15-5-7/h4-5H,3,6H2,1-2H3,(H,13,14)
InChIKeyCDSXGTPOGITRSP-UHFFFAOYSA-N
XLogP3.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.10
LogP ≤ 53.80
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-(1-hydroxy-2-methylbutan-2-yl)thiophene-3-carboxamide
CID 64557581
5-bromo-N-[3-(chloromethyl)pentan-3-yl]thiophene-3-carboxamide
CID 107966069
N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-bromothiophene-3-carboxamide
CID 61219456
5-bromo-N-(3-hydroxy-2-methylbutan-2-yl)thiophene-3-carboxamide
CID 115884352
5-bromo-N-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]thiophene-3-carboxamide
CID 114021716
5-bromo-N-(2-ethyl-2-hydroxybutyl)thiophene-3-carboxamide
CID 65111095
N-(1-bromo-2-methylbutan-2-yl)-3,5-dimethoxybenzamide
CID 113275625
N-(1-bromo-2-methylbutan-2-yl)-1-benzothiophene-3-carboxamide
CID 113275632
3-bromo-N-(1-bromo-2-methylbutan-2-yl)-5-nitrobenzamide
CID 113275611
N-(1-bromo-2-methylbutan-2-yl)furan-3-carboxamide
CID 114314292
N-(1-bromo-2-methylbutan-2-yl)-3,4-diethoxybenzamide
CID 114314436
N-(1-bromo-2-methylbutan-2-yl)-3-fluoro-4-methylbenzamide
CID 114314455

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-bromo-2-methylbutan-2-yl)thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-(1-bromo-2-methylbutan-2-yl)thiophene-3-carboxamide (CID 107966156) is 5-bromo-N-(1-bromo-2-methylbutan-2-yl)thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(1-bromo-2-methylbutan-2-yl)thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-(1-bromo-2-methylbutan-2-yl)thiophene-3-carboxamide is CCC(C)(CBr)NC(=O)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-(1-bromo-2-methylbutan-2-yl)thiophene-3-carboxamide?
The InChIKey is CDSXGTPOGITRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2NOS/c1-3-10(2,6-11)13-9(14)7-4-8(12)15-5-7/h4-5H,3,6H2,1-2H3,(H,13,14).
What are the key properties of 5-bromo-N-(1-bromo-2-methylbutan-2-yl)thiophene-3-carboxamide?
5-bromo-N-(1-bromo-2-methylbutan-2-yl)thiophene-3-carboxamide has a molecular weight of 355.10 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-bromo-2-methylbutan-2-yl)thiophene-3-carboxamide is sourced from PubChem (CID 107966156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).