3-hydroxy-4-methyl-N-(2-methylsulfanylphenyl)benzamide

C15H15NO2S — CID 103955489

IUPAC3-hydroxy-4-methyl-N-(2-methylsulfanylphenyl)benzamide
SMILESCSc1ccccc1NC(=O)c1ccc(C)c(O)c1
InChIInChI=1S/C15H15NO2S/c1-10-7-8-11(9-13(10)17)15(18)16-12-5-3-4-6-14(12)19-2/h3-9,17H,1-2H3,(H,16,18)
InChIKeyZOTXHXPHOWRTRL-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.67
Rot. Bonds3

About 3-hydroxy-4-methyl-N-(2-methylsulfanylphenyl)benzamide

3-hydroxy-4-methyl-N-(2-methylsulfanylphenyl)benzamide (PubChem CID 103955489) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is 3-hydroxy-4-methyl-N-(2-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name3-hydroxy-4-methyl-N-(2-methylsulfanylphenyl)benzamide
PubChem CID103955489
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC Name3-hydroxy-4-methyl-N-(2-methylsulfanylphenyl)benzamide
SMILESCSc1ccccc1NC(=O)c1ccc(C)c(O)c1
InChIInChI=1S/C15H15NO2S/c1-10-7-8-11(9-13(10)17)15(18)16-12-5-3-4-6-14(12)19-2/h3-9,17H,1-2H3,(H,16,18)
InChIKeyZOTXHXPHOWRTRL-UHFFFAOYSA-N
XLogP3.67
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-methyl-N-(2-methylsulfanylphenyl)benzamide
CID 81472688
3-hydroxy-N-(2-iodophenyl)-4-methylbenzamide
CID 28881825
N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-3-hydroxy-4-methylbenzamide
CID 21352752
N-[2-(1-chloroethyl)phenyl]-3-hydroxy-4-methylbenzamide
CID 114304843
N-[2-(aminomethyl)phenyl]-3-hydroxy-4-methylbenzamide
CID 16772682
4-iodo-N-(2-methylsulfanylphenyl)benzamide
CID 2238716
3-hydroxy-4-methyl-N-[2-(methylaminomethyl)phenyl]benzamide
CID 43600945
3-chloro-4-iodo-N-(2-methylsulfanylphenyl)benzamide
CID 103221338
3,4-dihydroxy-N-(2-methylphenyl)benzamide
CID 57150208
4-chloro-N-(2-methylsulfanylphenyl)benzamide
CID 2091832
N-[2-(difluoromethylsulfanyl)phenyl]-4-hydroxy-3-methylbenzamide
CID 103956330
3-amino-N-(2-methylsulfanylphenyl)benzamide
CID 43702687

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methyl-N-(2-methylsulfanylphenyl)benzamide?
The IUPAC name of 3-hydroxy-4-methyl-N-(2-methylsulfanylphenyl)benzamide (CID 103955489) is 3-hydroxy-4-methyl-N-(2-methylsulfanylphenyl)benzamide.
What is the SMILES notation for 3-hydroxy-4-methyl-N-(2-methylsulfanylphenyl)benzamide?
The canonical SMILES for 3-hydroxy-4-methyl-N-(2-methylsulfanylphenyl)benzamide is CSc1ccccc1NC(=O)c1ccc(C)c(O)c1.
What is the InChIKey of 3-hydroxy-4-methyl-N-(2-methylsulfanylphenyl)benzamide?
The InChIKey is ZOTXHXPHOWRTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c1-10-7-8-11(9-13(10)17)15(18)16-12-5-3-4-6-14(12)19-2/h3-9,17H,1-2H3,(H,16,18).
What are the key properties of 3-hydroxy-4-methyl-N-(2-methylsulfanylphenyl)benzamide?
3-hydroxy-4-methyl-N-(2-methylsulfanylphenyl)benzamide has a molecular weight of 273.36 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methyl-N-(2-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 103955489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).