5-bromo-4-methyl-N-(5,5,5-trifluoropentyl)thiophene-2-carboxamide

C11H13BrF3NOS — CID 115491639

IUPAC5-bromo-4-methyl-N-(5,5,5-trifluoropentyl)thiophene-2-carboxamide
SMILESCc1cc(C(=O)NCCCCC(F)(F)F)sc1Br
InChIInChI=1S/C11H13BrF3NOS/c1-7-6-8(18-9(7)12)10(17)16-5-3-2-4-11(13,14)15/h6H,2-5H2,1H3,(H,16,17)
InChIKeyQXVSQJHMOXRMPS-UHFFFAOYSA-N
MW344.20 g/mol
LogP4.28
Rot. Bonds5

About 5-bromo-4-methyl-N-(5,5,5-trifluoropentyl)thiophene-2-carboxamide

5-bromo-4-methyl-N-(5,5,5-trifluoropentyl)thiophene-2-carboxamide (PubChem CID 115491639) has the molecular formula C11H13BrF3NOS and a molecular weight of 344.20 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-(5,5,5-trifluoropentyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-4-methyl-N-(5,5,5-trifluoropentyl)thiophene-2-carboxamide
PubChem CID115491639
Molecular FormulaC11H13BrF3NOS
Molecular Weight344.20 g/mol
Exact Mass342.99
IUPAC Name5-bromo-4-methyl-N-(5,5,5-trifluoropentyl)thiophene-2-carboxamide
SMILESCc1cc(C(=O)NCCCCC(F)(F)F)sc1Br
InChIInChI=1S/C11H13BrF3NOS/c1-7-6-8(18-9(7)12)10(17)16-5-3-2-4-11(13,14)15/h6H,2-5H2,1H3,(H,16,17)
InChIKeyQXVSQJHMOXRMPS-UHFFFAOYSA-N
XLogP4.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.20
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-5-oxopentyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 103896394
5-(3-hydroxyprop-1-ynyl)-4-methyl-N-(5,5,5-trifluoropentyl)thiophene-2-carboxamide
CID 115521791
5-bromo-N-[3-(2-methoxyethoxy)propyl]-4-methylthiophene-2-carboxamide
CID 79952577
2,5-dibromo-N-(5,5,5-trifluoropentyl)thiophene-3-carboxamide
CID 103839434
N-(3-azidopropyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 79996237
5-bromo-4-methyl-N-[3-(2-methylpropoxy)propyl]thiophene-2-carboxamide
CID 79964430
5-bromo-N-[2-(2-methoxyethoxy)ethyl]-4-methylthiophene-2-carboxamide
CID 79965145
5-bromo-N-(4-hydroxy-2,2-dimethylbutyl)-4-methylthiophene-2-carboxamide
CID 103825053
5-bromo-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylthiophene-2-carboxamide
CID 79964067
5-bromo-N-(2-bromopropyl)-4-methylthiophene-2-carboxamide
CID 114308613
3-[(5-bromo-4-methylthiophene-2-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 115427108
5-bromo-N-(3-chloro-2,2-dimethylpropyl)-4-methylthiophene-2-carboxamide
CID 115364639

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-(5,5,5-trifluoropentyl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-4-methyl-N-(5,5,5-trifluoropentyl)thiophene-2-carboxamide (CID 115491639) is 5-bromo-4-methyl-N-(5,5,5-trifluoropentyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-4-methyl-N-(5,5,5-trifluoropentyl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-4-methyl-N-(5,5,5-trifluoropentyl)thiophene-2-carboxamide is Cc1cc(C(=O)NCCCCC(F)(F)F)sc1Br.
What is the InChIKey of 5-bromo-4-methyl-N-(5,5,5-trifluoropentyl)thiophene-2-carboxamide?
The InChIKey is QXVSQJHMOXRMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF3NOS/c1-7-6-8(18-9(7)12)10(17)16-5-3-2-4-11(13,14)15/h6H,2-5H2,1H3,(H,16,17).
What are the key properties of 5-bromo-4-methyl-N-(5,5,5-trifluoropentyl)thiophene-2-carboxamide?
5-bromo-4-methyl-N-(5,5,5-trifluoropentyl)thiophene-2-carboxamide has a molecular weight of 344.20 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-N-(5,5,5-trifluoropentyl)thiophene-2-carboxamide is sourced from PubChem (CID 115491639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).