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

C11H15Br2NOS — CID 106355067

IUPAC5-bromo-N-(1-bromo-4-methylpentan-3-yl)thiophene-2-carboxamide
SMILESCC(C)C(CCBr)NC(=O)c1ccc(Br)s1
InChIInChI=1S/C11H15Br2NOS/c1-7(2)8(5-6-12)14-11(15)9-3-4-10(13)16-9/h3-4,7-8H,5-6H2,1-2H3,(H,14,15)
InChIKeyXAYILUKNRGLLQN-UHFFFAOYSA-N
MW369.12 g/mol
LogP4.05
Rot. Bonds5

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

5-bromo-N-(1-bromo-4-methylpentan-3-yl)thiophene-2-carboxamide (PubChem CID 106355067) has the molecular formula C11H15Br2NOS and a molecular weight of 369.12 g/mol. Its IUPAC name is 5-bromo-N-(1-bromo-4-methylpentan-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1-bromo-4-methylpentan-3-yl)thiophene-2-carboxamide
PubChem CID106355067
Molecular FormulaC11H15Br2NOS
Molecular Weight369.12 g/mol
Exact Mass366.92
IUPAC Name5-bromo-N-(1-bromo-4-methylpentan-3-yl)thiophene-2-carboxamide
SMILESCC(C)C(CCBr)NC(=O)c1ccc(Br)s1
InChIInChI=1S/C11H15Br2NOS/c1-7(2)8(5-6-12)14-11(15)9-3-4-10(13)16-9/h3-4,7-8H,5-6H2,1-2H3,(H,14,15)
InChIKeyXAYILUKNRGLLQN-UHFFFAOYSA-N
XLogP4.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.12
LogP ≤ 54.05
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-chloro-3-methylbutan-2-yl)thiophene-2-carboxamide
CID 114305407
N-(1-bromo-4-methylpentan-3-yl)-1-benzothiophene-2-carboxamide
CID 114177755
5-bromo-N-(3-oxobutan-2-yl)thiophene-2-carboxamide
CID 64997082
5-bromo-N-(3-bromo-2-methylpropyl)thiophene-2-carboxamide
CID 114313311
5-bromo-N-(1-cyanoethyl)thiophene-2-carboxamide
CID 61121832
5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-carboxamide
CID 61247480
N-(3-aminobutyl)-5-bromothiophene-2-carboxamide;hydrochloride
CID 119498604
5-bromo-N-[(2S)-1-hydroxybutan-2-yl]thiophene-2-carboxamide
CID 104981493
5-bromo-N-[1-(4-bromophenyl)ethyl]thiophene-2-carboxamide
CID 47097752
N-(1-aminobutan-2-yl)-5-bromothiophene-2-carboxamide
CID 65193455
5-bromo-N-(2-methylpropoxy)thiophene-2-carboxamide
CID 115409767
N-(1-bromo-4-methylpentan-3-yl)-3-methylthiophene-2-carboxamide
CID 106355164

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-bromo-4-methylpentan-3-yl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(1-bromo-4-methylpentan-3-yl)thiophene-2-carboxamide (CID 106355067) is 5-bromo-N-(1-bromo-4-methylpentan-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(1-bromo-4-methylpentan-3-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(1-bromo-4-methylpentan-3-yl)thiophene-2-carboxamide is CC(C)C(CCBr)NC(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(1-bromo-4-methylpentan-3-yl)thiophene-2-carboxamide?
The InChIKey is XAYILUKNRGLLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br2NOS/c1-7(2)8(5-6-12)14-11(15)9-3-4-10(13)16-9/h3-4,7-8H,5-6H2,1-2H3,(H,14,15).
What are the key properties of 5-bromo-N-(1-bromo-4-methylpentan-3-yl)thiophene-2-carboxamide?
5-bromo-N-(1-bromo-4-methylpentan-3-yl)thiophene-2-carboxamide has a molecular weight of 369.12 g/mol, XLogP of 4.05, 5 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-4-methylpentan-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 106355067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).