5-bromo-N-(2-methyl-2-methylsulfanylpropyl)furan-2-carboxamide

C10H14BrNO2S — CID 115665099

IUPAC5-bromo-N-(2-methyl-2-methylsulfanylpropyl)furan-2-carboxamide
SMILESCSC(C)(C)CNC(=O)c1ccc(Br)o1
InChIInChI=1S/C10H14BrNO2S/c1-10(2,15-3)6-12-9(13)7-4-5-8(11)14-7/h4-5H,6H2,1-3H3,(H,12,13)
InChIKeyLLEWUHZUICBVMJ-UHFFFAOYSA-N
MW292.20 g/mol
LogP2.91
Rot. Bonds4

About 5-bromo-N-(2-methyl-2-methylsulfanylpropyl)furan-2-carboxamide

5-bromo-N-(2-methyl-2-methylsulfanylpropyl)furan-2-carboxamide (PubChem CID 115665099) has the molecular formula C10H14BrNO2S and a molecular weight of 292.20 g/mol. Its IUPAC name is 5-bromo-N-(2-methyl-2-methylsulfanylpropyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-methyl-2-methylsulfanylpropyl)furan-2-carboxamide
PubChem CID115665099
Molecular FormulaC10H14BrNO2S
Molecular Weight292.20 g/mol
Exact Mass290.99
IUPAC Name5-bromo-N-(2-methyl-2-methylsulfanylpropyl)furan-2-carboxamide
SMILESCSC(C)(C)CNC(=O)c1ccc(Br)o1
InChIInChI=1S/C10H14BrNO2S/c1-10(2,15-3)6-12-9(13)7-4-5-8(11)14-7/h4-5H,6H2,1-3H3,(H,12,13)
InChIKeyLLEWUHZUICBVMJ-UHFFFAOYSA-N
XLogP2.91
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.20
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-2,2-dimethylpropanoic acid
CID 115427115
5-bromo-N-(2-methyl-2-thiophen-2-ylpropyl)furan-2-carboxamide
CID 78962266
5-bromo-N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]furan-2-carboxamide
CID 95983656
2-bromo-N-(2-methyl-2-methylsulfanylpropyl)furan-3-carboxamide
CID 106854343
5-bromo-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119500440
4-(aminomethyl)-N-(2-methyl-2-methylsulfanylpropyl)benzamide
CID 115734394
5-bromo-N-[(2R)-2-[(5-bromofuran-2-carbonyl)amino]propyl]furan-2-carboxamide
CID 2292970
2-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-2-methylpropanoic acid
CID 61263565
5-bromo-N-[2-[(2-hydroxy-2,3-dimethylbutyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 111483687
5-bromo-N-(3-methyl-2-oxobutyl)furan-2-carboxamide
CID 64997202
5-bromo-N-[(2,2-dimethylcyclopropyl)methyl]furan-2-carboxamide
CID 103659452
2-(4-aminophenyl)-N-(2-methyl-2-methylsulfanylpropyl)acetamide
CID 113266939

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-methyl-2-methylsulfanylpropyl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-methyl-2-methylsulfanylpropyl)furan-2-carboxamide (CID 115665099) is 5-bromo-N-(2-methyl-2-methylsulfanylpropyl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-methyl-2-methylsulfanylpropyl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-methyl-2-methylsulfanylpropyl)furan-2-carboxamide is CSC(C)(C)CNC(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(2-methyl-2-methylsulfanylpropyl)furan-2-carboxamide?
The InChIKey is LLEWUHZUICBVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2S/c1-10(2,15-3)6-12-9(13)7-4-5-8(11)14-7/h4-5H,6H2,1-3H3,(H,12,13).
What are the key properties of 5-bromo-N-(2-methyl-2-methylsulfanylpropyl)furan-2-carboxamide?
5-bromo-N-(2-methyl-2-methylsulfanylpropyl)furan-2-carboxamide has a molecular weight of 292.20 g/mol, XLogP of 2.91, 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-methyl-2-methylsulfanylpropyl)furan-2-carboxamide is sourced from PubChem (CID 115665099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).