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

C15H15NO2S — CID 112726419

IUPACN-(4-hydroxyphenyl)-N-methyl-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)N(C)c2ccc(O)cc2)cc1
InChIInChI=1S/C15H15NO2S/c1-16(12-5-7-13(17)8-6-12)15(18)11-3-9-14(19-2)10-4-11/h3-10,17H,1-2H3
InChIKeyHGZRDXSWGWETMU-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.39
Rot. Bonds3

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

N-(4-hydroxyphenyl)-N-methyl-4-methylsulfanylbenzamide (PubChem CID 112726419) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-N-methyl-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-N-methyl-4-methylsulfanylbenzamide
PubChem CID112726419
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC NameN-(4-hydroxyphenyl)-N-methyl-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)N(C)c2ccc(O)cc2)cc1
InChIInChI=1S/C15H15NO2S/c1-16(12-5-7-13(17)8-6-12)15(18)11-3-9-14(19-2)10-4-11/h3-10,17H,1-2H3
InChIKeyHGZRDXSWGWETMU-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

Analyze N-(4-hydroxyphenyl)-N-methyl-4-methylsulfanylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-N-methyl-4-methylsulfanylbenzamide?
The IUPAC name of N-(4-hydroxyphenyl)-N-methyl-4-methylsulfanylbenzamide (CID 112726419) is N-(4-hydroxyphenyl)-N-methyl-4-methylsulfanylbenzamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-N-methyl-4-methylsulfanylbenzamide?
The canonical SMILES for N-(4-hydroxyphenyl)-N-methyl-4-methylsulfanylbenzamide is CSc1ccc(C(=O)N(C)c2ccc(O)cc2)cc1.
What is the InChIKey of N-(4-hydroxyphenyl)-N-methyl-4-methylsulfanylbenzamide?
The InChIKey is HGZRDXSWGWETMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c1-16(12-5-7-13(17)8-6-12)15(18)11-3-9-14(19-2)10-4-11/h3-10,17H,1-2H3.
What are the key properties of N-(4-hydroxyphenyl)-N-methyl-4-methylsulfanylbenzamide?
N-(4-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-(4-hydroxyphenyl)-N-methyl-4-methylsulfanylbenzamide is sourced from PubChem (CID 112726419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).