4,5-dibromo-N-(1-bromo-3-methylpentan-3-yl)thiophene-2-carboxamide

C11H14Br3NOS — CID 106168914

IUPAC4,5-dibromo-N-(1-bromo-3-methylpentan-3-yl)thiophene-2-carboxamide
SMILESCCC(C)(CCBr)NC(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C11H14Br3NOS/c1-3-11(2,4-5-12)15-10(16)8-6-7(13)9(14)17-8/h6H,3-5H2,1-2H3,(H,15,16)
InChIKeyMXFXBJFENUNMBR-UHFFFAOYSA-N
MW448.02 g/mol
LogP4.96
Rot. Bonds5

About 4,5-dibromo-N-(1-bromo-3-methylpentan-3-yl)thiophene-2-carboxamide

4,5-dibromo-N-(1-bromo-3-methylpentan-3-yl)thiophene-2-carboxamide (PubChem CID 106168914) has the molecular formula C11H14Br3NOS and a molecular weight of 448.02 g/mol. Its IUPAC name is 4,5-dibromo-N-(1-bromo-3-methylpentan-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-(1-bromo-3-methylpentan-3-yl)thiophene-2-carboxamide
PubChem CID106168914
Molecular FormulaC11H14Br3NOS
Molecular Weight448.02 g/mol
Exact Mass444.83
IUPAC Name4,5-dibromo-N-(1-bromo-3-methylpentan-3-yl)thiophene-2-carboxamide
SMILESCCC(C)(CCBr)NC(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C11H14Br3NOS/c1-3-11(2,4-5-12)15-10(16)8-6-7(13)9(14)17-8/h6H,3-5H2,1-2H3,(H,15,16)
InChIKeyMXFXBJFENUNMBR-UHFFFAOYSA-N
XLogP4.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.02
LogP ≤ 54.96
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

4,5-dibromo-N-(1-chloro-2-methylbutan-2-yl)thiophene-2-carboxamide
CID 114303626
4,5-dibromo-N-tert-butylthiophene-2-carboxamide
CID 15790561
N-(1-bromo-3-methylpentan-3-yl)thieno[3,2-b]thiophene-5-carboxamide
CID 114153197
5-bromo-N-(1-hydroxy-3-methylpentan-3-yl)-4-methylthiophene-2-carboxamide
CID 113356537
N-(1-bromo-3-methylpentan-3-yl)-2,5-dichlorothiophene-3-carboxamide
CID 106169060
4-bromo-N-(1-bromo-3-methylpentan-3-yl)-3-methylbenzamide
CID 114153164
4,5-dibromo-N-(3,3-dimethylbutyl)thiophene-2-carboxamide
CID 38983446
3-bromo-N-(1-bromo-3-methylpentan-3-yl)-4-chlorobenzamide
CID 106169560
3-bromo-N-(1-bromo-3-methylpentan-3-yl)-5-chlorobenzamide
CID 106169473
5-bromo-N-(1-hydroxy-3-methylpentan-3-yl)thiophene-2-carboxamide
CID 103945941
4-bromo-N-(1-bromo-3-methylpentan-3-yl)-2-fluorobenzamide
CID 106169569
N-(1-bromo-3-methylpentan-3-yl)-2,3,4,5,6-pentafluorobenzamide
CID 106168958

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-(1-bromo-3-methylpentan-3-yl)thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-(1-bromo-3-methylpentan-3-yl)thiophene-2-carboxamide (CID 106168914) is 4,5-dibromo-N-(1-bromo-3-methylpentan-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-(1-bromo-3-methylpentan-3-yl)thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-(1-bromo-3-methylpentan-3-yl)thiophene-2-carboxamide is CCC(C)(CCBr)NC(=O)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-(1-bromo-3-methylpentan-3-yl)thiophene-2-carboxamide?
The InChIKey is MXFXBJFENUNMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Br3NOS/c1-3-11(2,4-5-12)15-10(16)8-6-7(13)9(14)17-8/h6H,3-5H2,1-2H3,(H,15,16).
What are the key properties of 4,5-dibromo-N-(1-bromo-3-methylpentan-3-yl)thiophene-2-carboxamide?
4,5-dibromo-N-(1-bromo-3-methylpentan-3-yl)thiophene-2-carboxamide has a molecular weight of 448.02 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-(1-bromo-3-methylpentan-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 106168914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).