2-bromo-N-(4-methylsulfinylbutan-2-yl)furan-3-carboxamide

C10H14BrNO3S — CID 106854364

IUPAC2-bromo-N-(4-methylsulfinylbutan-2-yl)furan-3-carboxamide
SMILESCC(CCS(C)=O)NC(=O)c1ccoc1Br
InChIInChI=1S/C10H14BrNO3S/c1-7(4-6-16(2)14)12-10(13)8-3-5-15-9(8)11/h3,5,7H,4,6H2,1-2H3,(H,12,13)
InChIKeyVIXCVVZWRHMQHC-UHFFFAOYSA-N
MW308.20 g/mol
LogP1.93
Rot. Bonds5

About 2-bromo-N-(4-methylsulfinylbutan-2-yl)furan-3-carboxamide

2-bromo-N-(4-methylsulfinylbutan-2-yl)furan-3-carboxamide (PubChem CID 106854364) has the molecular formula C10H14BrNO3S and a molecular weight of 308.20 g/mol. Its IUPAC name is 2-bromo-N-(4-methylsulfinylbutan-2-yl)furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(4-methylsulfinylbutan-2-yl)furan-3-carboxamide
PubChem CID106854364
Molecular FormulaC10H14BrNO3S
Molecular Weight308.20 g/mol
Exact Mass306.99
IUPAC Name2-bromo-N-(4-methylsulfinylbutan-2-yl)furan-3-carboxamide
SMILESCC(CCS(C)=O)NC(=O)c1ccoc1Br
InChIInChI=1S/C10H14BrNO3S/c1-7(4-6-16(2)14)12-10(13)8-3-5-15-9(8)11/h3,5,7H,4,6H2,1-2H3,(H,12,13)
InChIKeyVIXCVVZWRHMQHC-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

2-bromo-N-(4-chlorobutan-2-yl)furan-3-carboxamide
CID 106856184
2-bromo-N-(1-bromopropan-2-yl)furan-3-carboxamide
CID 106856150
2-bromo-N-[(2R)-1-hydroxypropan-2-yl]furan-3-carboxamide
CID 106854999
2-bromo-N-(5-bromopentan-2-yl)furan-3-carboxamide
CID 106856170
2-bromo-N-(5-chloropentan-2-yl)furan-3-carboxamide
CID 106856137
2-bromo-N-[4-(4-hydroxyphenyl)butan-2-yl]furan-3-carboxamide
CID 106853262
5-bromo-N-(4-methylsulfinylbutan-2-yl)furan-2-carboxamide
CID 115667810
5-bromo-2-hydroxy-N-(4-methylsulfinylbutan-2-yl)benzamide
CID 103722599
2-bromo-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide
CID 103772020
2-bromo-N-(1-bromo-3-methylbutan-2-yl)furan-3-carboxamide
CID 106856169
(2R)-2-[(2-bromofuran-3-carbonyl)amino]-3-methylbutanoic acid
CID 106851080
2-bromo-N-(1-cyclopropylethyl)furan-3-carboxamide
CID 106852619

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-methylsulfinylbutan-2-yl)furan-3-carboxamide?
The IUPAC name of 2-bromo-N-(4-methylsulfinylbutan-2-yl)furan-3-carboxamide (CID 106854364) is 2-bromo-N-(4-methylsulfinylbutan-2-yl)furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(4-methylsulfinylbutan-2-yl)furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-(4-methylsulfinylbutan-2-yl)furan-3-carboxamide is CC(CCS(C)=O)NC(=O)c1ccoc1Br.
What is the InChIKey of 2-bromo-N-(4-methylsulfinylbutan-2-yl)furan-3-carboxamide?
The InChIKey is VIXCVVZWRHMQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO3S/c1-7(4-6-16(2)14)12-10(13)8-3-5-15-9(8)11/h3,5,7H,4,6H2,1-2H3,(H,12,13).
What are the key properties of 2-bromo-N-(4-methylsulfinylbutan-2-yl)furan-3-carboxamide?
2-bromo-N-(4-methylsulfinylbutan-2-yl)furan-3-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 2-bromo-N-(4-methylsulfinylbutan-2-yl)furan-3-carboxamide is sourced from PubChem (CID 106854364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).