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

C12H17NO2S — CID 115636004

IUPAC2-hydroxy-5-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
SMILESCSCC(C)NC(=O)c1cc(C)ccc1O
InChIInChI=1S/C12H17NO2S/c1-8-4-5-11(14)10(6-8)12(15)13-9(2)7-16-3/h4-6,9,14H,7H2,1-3H3,(H,13,15)
InChIKeyCKCADBNRASADFE-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.18
Rot. Bonds4

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

2-hydroxy-5-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide (PubChem CID 115636004) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-hydroxy-5-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide.

Molecular Properties

Compound Name2-hydroxy-5-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
PubChem CID115636004
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name2-hydroxy-5-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
SMILESCSCC(C)NC(=O)c1cc(C)ccc1O
InChIInChI=1S/C12H17NO2S/c1-8-4-5-11(14)10(6-8)12(15)13-9(2)7-16-3/h4-6,9,14H,7H2,1-3H3,(H,13,15)
InChIKeyCKCADBNRASADFE-UHFFFAOYSA-N
XLogP2.18
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-5-methylbenzamide
CID 79030607
2-hydroxy-5-methyl-N-(4-methylpentan-2-yl)benzamide
CID 43372458
2-hydroxy-5-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 113351023
N-(4-bromobutan-2-yl)-2-hydroxy-5-methylbenzamide
CID 83180515
N-[4-(dimethylamino)butan-2-yl]-2-hydroxy-5-methylbenzamide
CID 54968038
2-hydroxy-5-methyl-N-(3-methylbutan-2-yl)benzamide
CID 43084907
2-hydroxy-5-methyl-N-(4-phenylbutan-2-yl)benzamide
CID 42909032
N-(1-chloro-4-methylpentan-3-yl)-2-hydroxy-5-methylbenzamide
CID 114177673
4-bromo-3-hydroxy-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 103873373
2-hydroxy-N-[(2R)-1-hydroxybutan-2-yl]-5-methylbenzamide
CID 103920351
N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-hydroxy-5-methylbenzamide
CID 113233078
methyl 2-[(2-hydroxy-5-methylbenzoyl)amino]-3-methylbutanoate
CID 43386291

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide?
The IUPAC name of 2-hydroxy-5-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide (CID 115636004) is 2-hydroxy-5-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide.
What is the SMILES notation for 2-hydroxy-5-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide?
The canonical SMILES for 2-hydroxy-5-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide is CSCC(C)NC(=O)c1cc(C)ccc1O.
What is the InChIKey of 2-hydroxy-5-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide?
The InChIKey is CKCADBNRASADFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-8-4-5-11(14)10(6-8)12(15)13-9(2)7-16-3/h4-6,9,14H,7H2,1-3H3,(H,13,15).
What are the key properties of 2-hydroxy-5-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide?
2-hydroxy-5-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide has a molecular weight of 239.34 g/mol, XLogP of 2.18, 4 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-methylsulfanylpropan-2-yl)benzamide is sourced from PubChem (CID 115636004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).