N-(4-ethylsulfanylbutan-2-yl)-5-fluoro-2-hydroxybenzamide

C13H18FNO2S — CID 115681959

IUPACN-(4-ethylsulfanylbutan-2-yl)-5-fluoro-2-hydroxybenzamide
SMILESCCSCCC(C)NC(=O)c1cc(F)ccc1O
InChIInChI=1S/C13H18FNO2S/c1-3-18-7-6-9(2)15-13(17)11-8-10(14)4-5-12(11)16/h4-5,8-9,16H,3,6-7H2,1-2H3,(H,15,17)
InChIKeyUNFQPWSBHKHVSC-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.79
Rot. Bonds6

About N-(4-ethylsulfanylbutan-2-yl)-5-fluoro-2-hydroxybenzamide

N-(4-ethylsulfanylbutan-2-yl)-5-fluoro-2-hydroxybenzamide (PubChem CID 115681959) has the molecular formula C13H18FNO2S and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(4-ethylsulfanylbutan-2-yl)-5-fluoro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(4-ethylsulfanylbutan-2-yl)-5-fluoro-2-hydroxybenzamide
PubChem CID115681959
Molecular FormulaC13H18FNO2S
Molecular Weight271.36 g/mol
Exact Mass271.10
IUPAC NameN-(4-ethylsulfanylbutan-2-yl)-5-fluoro-2-hydroxybenzamide
SMILESCCSCCC(C)NC(=O)c1cc(F)ccc1O
InChIInChI=1S/C13H18FNO2S/c1-3-18-7-6-9(2)15-13(17)11-8-10(14)4-5-12(11)16/h4-5,8-9,16H,3,6-7H2,1-2H3,(H,15,17)
InChIKeyUNFQPWSBHKHVSC-UHFFFAOYSA-N
XLogP2.79
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethylsulfanylbutan-2-yl)-2-hydroxy-5-iodobenzamide
CID 103713644
N-[4-(dimethylamino)butan-2-yl]-5-fluoro-2-hydroxybenzamide
CID 71975942
N-(4-ethylsulfanylbutan-2-yl)-2-hydroxy-4-methylbenzamide
CID 115665154
6-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylheptanoic acid
CID 115298555
5-fluoro-2-hydroxy-N-(3-oxopentan-2-yl)benzamide
CID 115298768
N-(4-ethylsulfanylbutan-2-yl)-2-fluoro-5-(trifluoromethyl)benzamide
CID 115697220
ethyl 2-[(5-fluoro-2-hydroxybenzoyl)amino]propanoate
CID 115298966
5-fluoro-2-hydroxy-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 103852374
2-[(5-fluoro-2-hydroxybenzoyl)amino]-4-methylsulfanylbutanoic acid
CID 115298397
N-(4-ethylsulfanylbutan-2-yl)-3,4,5-trifluorobenzamide
CID 113245328
(2S)-2-[(5-fluoro-2-hydroxybenzoyl)amino]-3-methylpentanoic acid
CID 113281512
N-(1-aminopentan-2-yl)-5-fluoro-2-hydroxybenzamide
CID 113281709

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylsulfanylbutan-2-yl)-5-fluoro-2-hydroxybenzamide?
The IUPAC name of N-(4-ethylsulfanylbutan-2-yl)-5-fluoro-2-hydroxybenzamide (CID 115681959) is N-(4-ethylsulfanylbutan-2-yl)-5-fluoro-2-hydroxybenzamide.
What is the SMILES notation for N-(4-ethylsulfanylbutan-2-yl)-5-fluoro-2-hydroxybenzamide?
The canonical SMILES for N-(4-ethylsulfanylbutan-2-yl)-5-fluoro-2-hydroxybenzamide is CCSCCC(C)NC(=O)c1cc(F)ccc1O.
What is the InChIKey of N-(4-ethylsulfanylbutan-2-yl)-5-fluoro-2-hydroxybenzamide?
The InChIKey is UNFQPWSBHKHVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2S/c1-3-18-7-6-9(2)15-13(17)11-8-10(14)4-5-12(11)16/h4-5,8-9,16H,3,6-7H2,1-2H3,(H,15,17).
What are the key properties of N-(4-ethylsulfanylbutan-2-yl)-5-fluoro-2-hydroxybenzamide?
N-(4-ethylsulfanylbutan-2-yl)-5-fluoro-2-hydroxybenzamide has a molecular weight of 271.36 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylsulfanylbutan-2-yl)-5-fluoro-2-hydroxybenzamide is sourced from PubChem (CID 115681959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).