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

C15H23NO2S — CID 103712019

IUPACN-(2-ethyl-2-methylsulfanylbutyl)-2-hydroxy-5-methylbenzamide
SMILESCCC(CC)(CNC(=O)c1cc(C)ccc1O)SC
InChIInChI=1S/C15H23NO2S/c1-5-15(6-2,19-4)10-16-14(18)12-9-11(3)7-8-13(12)17/h7-9,17H,5-6,10H2,1-4H3,(H,16,18)
InChIKeyUASBOMGJPVAXQO-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.35
Rot. Bonds6

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

N-(2-ethyl-2-methylsulfanylbutyl)-2-hydroxy-5-methylbenzamide (PubChem CID 103712019) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is N-(2-ethyl-2-methylsulfanylbutyl)-2-hydroxy-5-methylbenzamide.

Molecular Properties

Compound NameN-(2-ethyl-2-methylsulfanylbutyl)-2-hydroxy-5-methylbenzamide
PubChem CID103712019
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC NameN-(2-ethyl-2-methylsulfanylbutyl)-2-hydroxy-5-methylbenzamide
SMILESCCC(CC)(CNC(=O)c1cc(C)ccc1O)SC
InChIInChI=1S/C15H23NO2S/c1-5-15(6-2,19-4)10-16-14(18)12-9-11(3)7-8-13(12)17/h7-9,17H,5-6,10H2,1-4H3,(H,16,18)
InChIKeyUASBOMGJPVAXQO-UHFFFAOYSA-N
XLogP3.35
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(2-ethyl-2-methylsulfanylbutyl)-5-methylbenzamide
CID 113259213
N-(2-ethyl-2-methylsulfanylbutyl)-2-fluoro-5-methylbenzamide
CID 113245162
N-[2-(chloromethyl)-2-ethylbutyl]-2-hydroxy-5-methylbenzamide
CID 114164499
N-(2-ethyl-2-methylsulfanylbutyl)-3-hydroxy-4-methylbenzamide
CID 103957298
2-amino-N-(2-ethyl-2-methylsulfanylbutyl)benzamide
CID 103822118
2-hydroxy-5-methyl-N-[2-(propylamino)ethyl]benzamide
CID 55100965
N-(2,2-dimethylbutyl)-2-hydroxy-4-methylbenzamide
CID 103462004
5-bromo-2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)benzamide
CID 103709313
2-hydroxy-N-(1-hydroxy-2-methylbutan-2-yl)-5-methylbenzamide
CID 64556210
N-(2-ethyl-2-methylsulfanylbutyl)-4-fluoro-2-iodobenzamide
CID 103709318
4-amino-2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)benzamide
CID 103812552
2-hydroxy-5-methyl-N-[3-(methylamino)propyl]benzamide
CID 43600759

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-methylsulfanylbutyl)-2-hydroxy-5-methylbenzamide?
The IUPAC name of N-(2-ethyl-2-methylsulfanylbutyl)-2-hydroxy-5-methylbenzamide (CID 103712019) is N-(2-ethyl-2-methylsulfanylbutyl)-2-hydroxy-5-methylbenzamide.
What is the SMILES notation for N-(2-ethyl-2-methylsulfanylbutyl)-2-hydroxy-5-methylbenzamide?
The canonical SMILES for N-(2-ethyl-2-methylsulfanylbutyl)-2-hydroxy-5-methylbenzamide is CCC(CC)(CNC(=O)c1cc(C)ccc1O)SC.
What is the InChIKey of N-(2-ethyl-2-methylsulfanylbutyl)-2-hydroxy-5-methylbenzamide?
The InChIKey is UASBOMGJPVAXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-5-15(6-2,19-4)10-16-14(18)12-9-11(3)7-8-13(12)17/h7-9,17H,5-6,10H2,1-4H3,(H,16,18).
What are the key properties of N-(2-ethyl-2-methylsulfanylbutyl)-2-hydroxy-5-methylbenzamide?
N-(2-ethyl-2-methylsulfanylbutyl)-2-hydroxy-5-methylbenzamide has a molecular weight of 281.42 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-methylsulfanylbutyl)-2-hydroxy-5-methylbenzamide is sourced from PubChem (CID 103712019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).