5-bromo-N-(2-methylpropoxy)thiophene-2-carboxamide

C9H12BrNO2S — CID 115409767

IUPAC5-bromo-N-(2-methylpropoxy)thiophene-2-carboxamide
SMILESCC(C)CONC(=O)c1ccc(Br)s1
InChIInChI=1S/C9H12BrNO2S/c1-6(2)5-13-11-9(12)7-3-4-8(10)14-7/h3-4,6H,5H2,1-2H3,(H,11,12)
InChIKeyGXZKYQGPVYPHIN-UHFFFAOYSA-N
MW278.17 g/mol
LogP2.83
Rot. Bonds4

About 5-bromo-N-(2-methylpropoxy)thiophene-2-carboxamide

5-bromo-N-(2-methylpropoxy)thiophene-2-carboxamide (PubChem CID 115409767) has the molecular formula C9H12BrNO2S and a molecular weight of 278.17 g/mol. Its IUPAC name is 5-bromo-N-(2-methylpropoxy)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-methylpropoxy)thiophene-2-carboxamide
PubChem CID115409767
Molecular FormulaC9H12BrNO2S
Molecular Weight278.17 g/mol
Exact Mass276.98
IUPAC Name5-bromo-N-(2-methylpropoxy)thiophene-2-carboxamide
SMILESCC(C)CONC(=O)c1ccc(Br)s1
InChIInChI=1S/C9H12BrNO2S/c1-6(2)5-13-11-9(12)7-3-4-8(10)14-7/h3-4,6H,5H2,1-2H3,(H,11,12)
InChIKeyGXZKYQGPVYPHIN-UHFFFAOYSA-N
XLogP2.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.17
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(3-oxobutan-2-yl)thiophene-2-carboxamide
CID 64997082
5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-carboxamide
CID 61247480
5-bromo-N-[1-[3-(2-methylpropoxy)propylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55865383
(E)-3-(5-bromothiophen-2-yl)-N-(2-methylpropoxy)prop-2-enamide
CID 115410076
4-bromo-N-(2-methylpropoxy)benzamide
CID 115410038
5-bromo-N-(1-chloro-3-methylbutan-2-yl)thiophene-2-carboxamide
CID 114305407
5-bromo-N-(3-bromo-2-methylpropyl)thiophene-2-carboxamide
CID 114313311
N-(2-methylpropoxy)thiadiazole-5-carboxamide
CID 115410126
5-bromo-N-(1-cyanoethyl)thiophene-2-carboxamide
CID 61121832
5-bromo-N-(1-bromo-4-methylpentan-3-yl)thiophene-2-carboxamide
CID 106355067
N-(3-aminobutyl)-5-bromothiophene-2-carboxamide;hydrochloride
CID 119498604
methyl (2S)-2-[[2-[(5-bromothiophene-2-carbonyl)amino]acetyl]amino]propanoate
CID 47337781

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-methylpropoxy)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-methylpropoxy)thiophene-2-carboxamide (CID 115409767) is 5-bromo-N-(2-methylpropoxy)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-methylpropoxy)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-methylpropoxy)thiophene-2-carboxamide is CC(C)CONC(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(2-methylpropoxy)thiophene-2-carboxamide?
The InChIKey is GXZKYQGPVYPHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO2S/c1-6(2)5-13-11-9(12)7-3-4-8(10)14-7/h3-4,6H,5H2,1-2H3,(H,11,12).
What are the key properties of 5-bromo-N-(2-methylpropoxy)thiophene-2-carboxamide?
5-bromo-N-(2-methylpropoxy)thiophene-2-carboxamide has a molecular weight of 278.17 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-methylpropoxy)thiophene-2-carboxamide is sourced from PubChem (CID 115409767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).