N-(2-ethyl-2-methylsulfanylbutyl)-2-fluoro-5-methylbenzamide

C15H22FNOS — CID 113245162

IUPACN-(2-ethyl-2-methylsulfanylbutyl)-2-fluoro-5-methylbenzamide
SMILESCCC(CC)(CNC(=O)c1cc(C)ccc1F)SC
InChIInChI=1S/C15H22FNOS/c1-5-15(6-2,19-4)10-17-14(18)12-9-11(3)7-8-13(12)16/h7-9H,5-6,10H2,1-4H3,(H,17,18)
InChIKeyBSQMYRLLNMCFIE-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.79
Rot. Bonds6

About N-(2-ethyl-2-methylsulfanylbutyl)-2-fluoro-5-methylbenzamide

N-(2-ethyl-2-methylsulfanylbutyl)-2-fluoro-5-methylbenzamide (PubChem CID 113245162) has the molecular formula C15H22FNOS and a molecular weight of 283.41 g/mol. Its IUPAC name is N-(2-ethyl-2-methylsulfanylbutyl)-2-fluoro-5-methylbenzamide.

Molecular Properties

Compound NameN-(2-ethyl-2-methylsulfanylbutyl)-2-fluoro-5-methylbenzamide
PubChem CID113245162
Molecular FormulaC15H22FNOS
Molecular Weight283.41 g/mol
Exact Mass283.14
IUPAC NameN-(2-ethyl-2-methylsulfanylbutyl)-2-fluoro-5-methylbenzamide
SMILESCCC(CC)(CNC(=O)c1cc(C)ccc1F)SC
InChIInChI=1S/C15H22FNOS/c1-5-15(6-2,19-4)10-17-14(18)12-9-11(3)7-8-13(12)16/h7-9H,5-6,10H2,1-4H3,(H,17,18)
InChIKeyBSQMYRLLNMCFIE-UHFFFAOYSA-N
XLogP3.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethyl-2-methylsulfanylbutyl)-2-hydroxy-5-methylbenzamide
CID 103712019
2-bromo-N-(2-ethyl-2-methylsulfanylbutyl)-5-methylbenzamide
CID 113259213
2-fluoro-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 62510396
N-(3-bromo-2,2-dimethylpropyl)-2-fluoro-5-methylbenzamide
CID 115364948
N-(2-amino-2-oxoethyl)-2-fluoro-5-methylbenzamide
CID 62511254
N-(2-ethyl-2-methylsulfanylbutyl)-4-fluoro-2-iodobenzamide
CID 103709318
2-fluoro-N-(2-hydroxyethyl)-5-methylbenzamide
CID 62511184
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-fluoro-5-methylbenzamide
CID 103839903
2-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-5-methylbenzamide
CID 64557392
4-amino-2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)benzamide
CID 103812552
N-[2-(diethylamino)ethyl]-2-fluoro-5-methylbenzamide
CID 62509349
2-fluoro-5-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62659559

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-methylsulfanylbutyl)-2-fluoro-5-methylbenzamide?
The IUPAC name of N-(2-ethyl-2-methylsulfanylbutyl)-2-fluoro-5-methylbenzamide (CID 113245162) is N-(2-ethyl-2-methylsulfanylbutyl)-2-fluoro-5-methylbenzamide.
What is the SMILES notation for N-(2-ethyl-2-methylsulfanylbutyl)-2-fluoro-5-methylbenzamide?
The canonical SMILES for N-(2-ethyl-2-methylsulfanylbutyl)-2-fluoro-5-methylbenzamide is CCC(CC)(CNC(=O)c1cc(C)ccc1F)SC.
What is the InChIKey of N-(2-ethyl-2-methylsulfanylbutyl)-2-fluoro-5-methylbenzamide?
The InChIKey is BSQMYRLLNMCFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNOS/c1-5-15(6-2,19-4)10-17-14(18)12-9-11(3)7-8-13(12)16/h7-9H,5-6,10H2,1-4H3,(H,17,18).
What are the key properties of N-(2-ethyl-2-methylsulfanylbutyl)-2-fluoro-5-methylbenzamide?
N-(2-ethyl-2-methylsulfanylbutyl)-2-fluoro-5-methylbenzamide has a molecular weight of 283.41 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-methylsulfanylbutyl)-2-fluoro-5-methylbenzamide is sourced from PubChem (CID 113245162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).