2-hydroxy-5-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide

C13H19NO2S — CID 113351023

IUPAC2-hydroxy-5-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
SMILESCCC(CSC)NC(=O)c1cc(C)ccc1O
InChIInChI=1S/C13H19NO2S/c1-4-10(8-17-3)14-13(16)11-7-9(2)5-6-12(11)15/h5-7,10,15H,4,8H2,1-3H3,(H,14,16)
InChIKeyIZFQMPJDNYPRQM-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.57
Rot. Bonds5

About 2-hydroxy-5-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide

2-hydroxy-5-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide (PubChem CID 113351023) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-hydroxy-5-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide.

Molecular Properties

Compound Name2-hydroxy-5-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
PubChem CID113351023
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name2-hydroxy-5-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
SMILESCCC(CSC)NC(=O)c1cc(C)ccc1O
InChIInChI=1S/C13H19NO2S/c1-4-10(8-17-3)14-13(16)11-7-9(2)5-6-12(11)15/h5-7,10,15H,4,8H2,1-3H3,(H,14,16)
InChIKeyIZFQMPJDNYPRQM-UHFFFAOYSA-N
XLogP2.57
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N-[(2R)-1-hydroxybutan-2-yl]-5-methylbenzamide
CID 103920351
2-hydroxy-5-iodo-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 113351481
2-hydroxy-5-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 115636004
2-hydroxy-5-methyl-N-(3-methylbutan-2-yl)benzamide
CID 43084907
5-bromo-2-hydroxy-N-pentan-3-ylbenzamide
CID 103600405
2-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-5-methylbenzamide
CID 79030607
2-hydroxy-5-methyl-N-(4-methylpentan-2-yl)benzamide
CID 43372458
(2R)-2-[(2-hydroxy-5-methylbenzoyl)amino]pentanoic acid
CID 107563235
N-(1-amino-1-sulfanylidenepentan-3-yl)-2-hydroxy-4-methylbenzamide
CID 62652346
N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-hydroxy-5-methylbenzamide
CID 113233078
N-(4-bromobutan-2-yl)-2-hydroxy-5-methylbenzamide
CID 83180515
2-amino-N-[(2S)-1-hydroxybutan-2-yl]-5-methylbenzamide
CID 107211525

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide?
The IUPAC name of 2-hydroxy-5-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide (CID 113351023) is 2-hydroxy-5-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide.
What is the SMILES notation for 2-hydroxy-5-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide?
The canonical SMILES for 2-hydroxy-5-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide is CCC(CSC)NC(=O)c1cc(C)ccc1O.
What is the InChIKey of 2-hydroxy-5-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide?
The InChIKey is IZFQMPJDNYPRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-4-10(8-17-3)14-13(16)11-7-9(2)5-6-12(11)15/h5-7,10,15H,4,8H2,1-3H3,(H,14,16).
What are the key properties of 2-hydroxy-5-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide?
2-hydroxy-5-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide has a molecular weight of 253.37 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide is sourced from PubChem (CID 113351023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).