N-(4-ethylsulfanylbutan-2-yl)-4-fluoro-3-methylbenzamide

C14H20FNOS — CID 113245327

IUPACN-(4-ethylsulfanylbutan-2-yl)-4-fluoro-3-methylbenzamide
SMILESCCSCCC(C)NC(=O)c1ccc(F)c(C)c1
InChIInChI=1S/C14H20FNOS/c1-4-18-8-7-11(3)16-14(17)12-5-6-13(15)10(2)9-12/h5-6,9,11H,4,7-8H2,1-3H3,(H,16,17)
InChIKeyCYTBYWQWSWEUAJ-UHFFFAOYSA-N
MW269.38 g/mol
LogP3.40
Rot. Bonds6

About N-(4-ethylsulfanylbutan-2-yl)-4-fluoro-3-methylbenzamide

N-(4-ethylsulfanylbutan-2-yl)-4-fluoro-3-methylbenzamide (PubChem CID 113245327) has the molecular formula C14H20FNOS and a molecular weight of 269.38 g/mol. Its IUPAC name is N-(4-ethylsulfanylbutan-2-yl)-4-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-(4-ethylsulfanylbutan-2-yl)-4-fluoro-3-methylbenzamide
PubChem CID113245327
Molecular FormulaC14H20FNOS
Molecular Weight269.38 g/mol
Exact Mass269.12
IUPAC NameN-(4-ethylsulfanylbutan-2-yl)-4-fluoro-3-methylbenzamide
SMILESCCSCCC(C)NC(=O)c1ccc(F)c(C)c1
InChIInChI=1S/C14H20FNOS/c1-4-18-8-7-11(3)16-14(17)12-5-6-13(15)10(2)9-12/h5-6,9,11H,4,7-8H2,1-3H3,(H,16,17)
InChIKeyCYTBYWQWSWEUAJ-UHFFFAOYSA-N
XLogP3.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethylsulfanylbutan-2-yl)-4-fluoro-3-sulfanylbenzamide
CID 107036007
N-(4-bromobutan-2-yl)-4-fluoro-3-methylbenzamide
CID 83178455
N-(4-ethylsulfanylbutan-2-yl)-3,4,5-trifluorobenzamide
CID 113245328
N-(4-amino-4-oxobutan-2-yl)-4-fluoro-3-methylbenzamide
CID 115649751
4-fluoro-3-methyl-N-(4,4,4-trifluorobutan-2-yl)benzamide
CID 113461612
4-fluoro-3-methyl-N-(1-phenylpropan-2-yl)benzamide
CID 63213334
N-(4-ethylsulfanylbutan-2-yl)-2-fluoro-5-(trifluoromethyl)benzamide
CID 115697220
N-(1-amino-4-methylpentan-3-yl)-4-fluoro-3-methylbenzamide
CID 106356719
4-fluoro-3-methyl-N-(1-piperidin-1-ylpropan-2-yl)benzamide
CID 63213435
4-(4-ethylsulfanylbutan-2-ylcarbamoyl)pyridine-2-carboxylic acid
CID 115730415
N-(3,3-dimethylbutan-2-yl)-4-fluoro-3-methylbenzamide
CID 115622752
N-(4-ethylsulfanylbutan-2-yl)-2-fluoro-5-nitrobenzamide
CID 115666714

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylsulfanylbutan-2-yl)-4-fluoro-3-methylbenzamide?
The IUPAC name of N-(4-ethylsulfanylbutan-2-yl)-4-fluoro-3-methylbenzamide (CID 113245327) is N-(4-ethylsulfanylbutan-2-yl)-4-fluoro-3-methylbenzamide.
What is the SMILES notation for N-(4-ethylsulfanylbutan-2-yl)-4-fluoro-3-methylbenzamide?
The canonical SMILES for N-(4-ethylsulfanylbutan-2-yl)-4-fluoro-3-methylbenzamide is CCSCCC(C)NC(=O)c1ccc(F)c(C)c1.
What is the InChIKey of N-(4-ethylsulfanylbutan-2-yl)-4-fluoro-3-methylbenzamide?
The InChIKey is CYTBYWQWSWEUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNOS/c1-4-18-8-7-11(3)16-14(17)12-5-6-13(15)10(2)9-12/h5-6,9,11H,4,7-8H2,1-3H3,(H,16,17).
What are the key properties of N-(4-ethylsulfanylbutan-2-yl)-4-fluoro-3-methylbenzamide?
N-(4-ethylsulfanylbutan-2-yl)-4-fluoro-3-methylbenzamide has a molecular weight of 269.38 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylsulfanylbutan-2-yl)-4-fluoro-3-methylbenzamide is sourced from PubChem (CID 113245327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).