N-(3-hydroxyphenyl)-N-methyl-4-methylsulfanylbenzamide

C15H15NO2S — CID 107736061

IUPACN-(3-hydroxyphenyl)-N-methyl-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)N(C)c2cccc(O)c2)cc1
InChIInChI=1S/C15H15NO2S/c1-16(12-4-3-5-13(17)10-12)15(18)11-6-8-14(19-2)9-7-11/h3-10,17H,1-2H3
InChIKeyGGMCVQUDGSBUEL-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.39
Rot. Bonds3

About N-(3-hydroxyphenyl)-N-methyl-4-methylsulfanylbenzamide

N-(3-hydroxyphenyl)-N-methyl-4-methylsulfanylbenzamide (PubChem CID 107736061) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is N-(3-hydroxyphenyl)-N-methyl-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(3-hydroxyphenyl)-N-methyl-4-methylsulfanylbenzamide
PubChem CID107736061
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC NameN-(3-hydroxyphenyl)-N-methyl-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)N(C)c2cccc(O)c2)cc1
InChIInChI=1S/C15H15NO2S/c1-16(12-4-3-5-13(17)10-12)15(18)11-6-8-14(19-2)9-7-11/h3-10,17H,1-2H3
InChIKeyGGMCVQUDGSBUEL-UHFFFAOYSA-N
XLogP3.39
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxyphenyl)-N-methyl-4-methylsulfanylbenzamide
CID 112726419
3,5-dihydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107735650
3,4-difluoro-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107735801
3,4-dihydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107735623
N-(3-hydroxyphenyl)-N-methylpyridine-4-carboxamide
CID 107735844
4-hydroxy-N-(3-hydroxyphenyl)-N,3-dimethylbenzamide
CID 107735629
6-fluoro-N-(3-hydroxyphenyl)-N-methylpyridine-3-carboxamide
CID 114009640
N-(3-hydroxyphenyl)-N-methyl-1H-indazole-6-carboxamide
CID 107735897
(3-hydroxyphenyl)-methylcarbamic acid
CID 20544632
N-[3-[benzoyl(methyl)amino]phenyl]-N-methylbenzamide
CID 59642334
2-fluoro-4-hydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107735649
N-(3-hydroxyphenyl)-N,2-dimethylpyridine-4-carboxamide
CID 107735739

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyphenyl)-N-methyl-4-methylsulfanylbenzamide?
The IUPAC name of N-(3-hydroxyphenyl)-N-methyl-4-methylsulfanylbenzamide (CID 107736061) is N-(3-hydroxyphenyl)-N-methyl-4-methylsulfanylbenzamide.
What is the SMILES notation for N-(3-hydroxyphenyl)-N-methyl-4-methylsulfanylbenzamide?
The canonical SMILES for N-(3-hydroxyphenyl)-N-methyl-4-methylsulfanylbenzamide is CSc1ccc(C(=O)N(C)c2cccc(O)c2)cc1.
What is the InChIKey of N-(3-hydroxyphenyl)-N-methyl-4-methylsulfanylbenzamide?
The InChIKey is GGMCVQUDGSBUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c1-16(12-4-3-5-13(17)10-12)15(18)11-6-8-14(19-2)9-7-11/h3-10,17H,1-2H3.
What are the key properties of N-(3-hydroxyphenyl)-N-methyl-4-methylsulfanylbenzamide?
N-(3-hydroxyphenyl)-N-methyl-4-methylsulfanylbenzamide has a molecular weight of 273.36 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyphenyl)-N-methyl-4-methylsulfanylbenzamide is sourced from PubChem (CID 107736061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).