N-(2-ethylsulfinylethyl)-2-hydroxy-4-methylbenzamide

C12H17NO3S — CID 115629353

IUPACN-(2-ethylsulfinylethyl)-2-hydroxy-4-methylbenzamide
SMILESCCS(=O)CCNC(=O)c1ccc(C)cc1O
InChIInChI=1S/C12H17NO3S/c1-3-17(16)7-6-13-12(15)10-5-4-9(2)8-11(10)14/h4-5,8,14H,3,6-7H2,1-2H3,(H,13,15)
InChIKeyRGNFQJGMRGYJDK-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.20
Rot. Bonds5

About N-(2-ethylsulfinylethyl)-2-hydroxy-4-methylbenzamide

N-(2-ethylsulfinylethyl)-2-hydroxy-4-methylbenzamide (PubChem CID 115629353) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is N-(2-ethylsulfinylethyl)-2-hydroxy-4-methylbenzamide.

Molecular Properties

Compound NameN-(2-ethylsulfinylethyl)-2-hydroxy-4-methylbenzamide
PubChem CID115629353
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC NameN-(2-ethylsulfinylethyl)-2-hydroxy-4-methylbenzamide
SMILESCCS(=O)CCNC(=O)c1ccc(C)cc1O
InChIInChI=1S/C12H17NO3S/c1-3-17(16)7-6-13-12(15)10-5-4-9(2)8-11(10)14/h4-5,8,14H,3,6-7H2,1-2H3,(H,13,15)
InChIKeyRGNFQJGMRGYJDK-UHFFFAOYSA-N
XLogP1.20
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(ethylamino)ethyl]-2-hydroxy-4-methylbenzamide
CID 62656871
2-hydroxy-4-methyl-N-octylbenzamide
CID 115568594
2-hydroxy-4-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62657497
N-(6-bromohexyl)-2-hydroxy-4-methylbenzamide
CID 107847815
2-hydroxy-4-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 62641544
N-(2,2-dimethylbutyl)-2-hydroxy-4-methylbenzamide
CID 103462004
2-fluoro-4-methyl-N-(2-methylsulfinylethyl)benzamide
CID 115678998
2-hydroxy-N-(2-methoxy-2-methylpropyl)-4-methylbenzamide
CID 113245894
N-(2-cyclohexylethyl)-2-hydroxy-4-methylbenzamide
CID 63526438
N-[2-[2-[(4-amino-2-hydroxybenzoyl)amino]ethyldisulfanyl]ethyl]-2-hydroxy-4-methylbenzamide
CID 155699714
4-bromo-N-(2-ethylsulfinylethyl)-2-(trifluoromethyl)benzamide
CID 103925011
N-[3-(cyclopropylamino)-3-oxopropyl]-2-hydroxy-4-methylbenzamide
CID 78917550

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfinylethyl)-2-hydroxy-4-methylbenzamide?
The IUPAC name of N-(2-ethylsulfinylethyl)-2-hydroxy-4-methylbenzamide (CID 115629353) is N-(2-ethylsulfinylethyl)-2-hydroxy-4-methylbenzamide.
What is the SMILES notation for N-(2-ethylsulfinylethyl)-2-hydroxy-4-methylbenzamide?
The canonical SMILES for N-(2-ethylsulfinylethyl)-2-hydroxy-4-methylbenzamide is CCS(=O)CCNC(=O)c1ccc(C)cc1O.
What is the InChIKey of N-(2-ethylsulfinylethyl)-2-hydroxy-4-methylbenzamide?
The InChIKey is RGNFQJGMRGYJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-3-17(16)7-6-13-12(15)10-5-4-9(2)8-11(10)14/h4-5,8,14H,3,6-7H2,1-2H3,(H,13,15).
What are the key properties of N-(2-ethylsulfinylethyl)-2-hydroxy-4-methylbenzamide?
N-(2-ethylsulfinylethyl)-2-hydroxy-4-methylbenzamide has a molecular weight of 255.34 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfinylethyl)-2-hydroxy-4-methylbenzamide is sourced from PubChem (CID 115629353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).