5-bromo-N-(4-methylsulfinylbutan-2-yl)furan-2-carboxamide

C10H14BrNO3S — CID 115667810

IUPAC5-bromo-N-(4-methylsulfinylbutan-2-yl)furan-2-carboxamide
SMILESCC(CCS(C)=O)NC(=O)c1ccc(Br)o1
InChIInChI=1S/C10H14BrNO3S/c1-7(5-6-16(2)14)12-10(13)8-3-4-9(11)15-8/h3-4,7H,5-6H2,1-2H3,(H,12,13)
InChIKeyOFZUEERCCHTHIJ-UHFFFAOYSA-N
MW308.20 g/mol
LogP1.93
Rot. Bonds5

About 5-bromo-N-(4-methylsulfinylbutan-2-yl)furan-2-carboxamide

5-bromo-N-(4-methylsulfinylbutan-2-yl)furan-2-carboxamide (PubChem CID 115667810) has the molecular formula C10H14BrNO3S and a molecular weight of 308.20 g/mol. Its IUPAC name is 5-bromo-N-(4-methylsulfinylbutan-2-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4-methylsulfinylbutan-2-yl)furan-2-carboxamide
PubChem CID115667810
Molecular FormulaC10H14BrNO3S
Molecular Weight308.20 g/mol
Exact Mass306.99
IUPAC Name5-bromo-N-(4-methylsulfinylbutan-2-yl)furan-2-carboxamide
SMILESCC(CCS(C)=O)NC(=O)c1ccc(Br)o1
InChIInChI=1S/C10H14BrNO3S/c1-7(5-6-16(2)14)12-10(13)8-3-4-9(11)15-8/h3-4,7H,5-6H2,1-2H3,(H,12,13)
InChIKeyOFZUEERCCHTHIJ-UHFFFAOYSA-N
XLogP1.93
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(5-methylhexan-2-yl)furan-2-carboxamide
CID 55028916
5-bromo-N-(4-hydroxybutan-2-yl)furan-2-carboxamide
CID 81049675
3-[(5-bromofuran-2-carbonyl)amino]butanoic acid
CID 43240633
5-bromo-N-[(2R)-2-[(5-bromofuran-2-carbonyl)amino]propyl]furan-2-carboxamide
CID 2292970
5-bromo-N-(1-ethoxypropan-2-yl)furan-2-carboxamide
CID 47903591
2-bromo-N-(4-methylsulfinylbutan-2-yl)furan-3-carboxamide
CID 106854364
5-bromo-N-(1-hydroxy-4-methylpentan-3-yl)furan-2-carboxamide
CID 103750870
5-bromo-N-(1-bromo-3-methylbutan-2-yl)furan-2-carboxamide
CID 114316037
5-bromo-N-[(2R)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 94216568
5-bromo-N-[1-(2-methylphenyl)propan-2-yl]furan-2-carboxamide
CID 47296501
(2R)-2-[(5-bromofuran-2-carbonyl)amino]-4-methylpentanoic acid
CID 30077278
5-bromo-N-(1-cyanoethyl)furan-2-carboxamide
CID 61119457

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-methylsulfinylbutan-2-yl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(4-methylsulfinylbutan-2-yl)furan-2-carboxamide (CID 115667810) is 5-bromo-N-(4-methylsulfinylbutan-2-yl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(4-methylsulfinylbutan-2-yl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(4-methylsulfinylbutan-2-yl)furan-2-carboxamide is CC(CCS(C)=O)NC(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(4-methylsulfinylbutan-2-yl)furan-2-carboxamide?
The InChIKey is OFZUEERCCHTHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO3S/c1-7(5-6-16(2)14)12-10(13)8-3-4-9(11)15-8/h3-4,7H,5-6H2,1-2H3,(H,12,13).
What are the key properties of 5-bromo-N-(4-methylsulfinylbutan-2-yl)furan-2-carboxamide?
5-bromo-N-(4-methylsulfinylbutan-2-yl)furan-2-carboxamide has a molecular weight of 308.20 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-methylsulfinylbutan-2-yl)furan-2-carboxamide is sourced from PubChem (CID 115667810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).