N-(4-hydroxyphenyl)-4-(methylsulfanylmethyl)benzamide

C15H15NO2S — CID 51193769

IUPACN-(4-hydroxyphenyl)-4-(methylsulfanylmethyl)benzamide
SMILESCSCc1ccc(C(=O)Nc2ccc(O)cc2)cc1
InChIInChI=1S/C15H15NO2S/c1-19-10-11-2-4-12(5-3-11)15(18)16-13-6-8-14(17)9-7-13/h2-9,17H,10H2,1H3,(H,16,18)
InChIKeyGOWOYAYULFGFRR-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.51
Rot. Bonds4

About N-(4-hydroxyphenyl)-4-(methylsulfanylmethyl)benzamide

N-(4-hydroxyphenyl)-4-(methylsulfanylmethyl)benzamide (PubChem CID 51193769) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-4-(methylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-4-(methylsulfanylmethyl)benzamide
PubChem CID51193769
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC NameN-(4-hydroxyphenyl)-4-(methylsulfanylmethyl)benzamide
SMILESCSCc1ccc(C(=O)Nc2ccc(O)cc2)cc1
InChIInChI=1S/C15H15NO2S/c1-19-10-11-2-4-12(5-3-11)15(18)16-13-6-8-14(17)9-7-13/h2-9,17H,10H2,1H3,(H,16,18)
InChIKeyGOWOYAYULFGFRR-UHFFFAOYSA-N
XLogP3.51
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-[4-(methylcarbamoylamino)phenyl]-4-(methylsulfanylmethyl)benzamide
CID 46518330
N-[4-(3-methylbutanoylamino)phenyl]-4-(methylsulfanylmethyl)benzamide
CID 33036805
N-(3,4-difluorophenyl)-4-(methylsulfanylmethyl)benzamide
CID 9165699
4-(methylsulfanylmethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2526024
N-(3-chloro-4-methylphenyl)-4-(methylsulfanylmethyl)benzamide
CID 2526021
4-(methylsulfanylmethyl)-N-[4-(1-phenylethylamino)phenyl]benzamide
CID 55986022
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(methylsulfanylmethyl)benzamide
CID 18108018
4-hydroxy-N-[4-(methylamino)phenyl]benzamide
CID 91493666
4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-[4-(methylsulfanylmethyl)phenyl]benzamide
CID 86883709
N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-(methylsulfanylmethyl)benzamide
CID 17403633
N-[4-(3-methylphenoxy)phenyl]-4-(methylsulfanylmethyl)benzamide
CID 7925023
4-hydroxy-N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 24707724

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-4-(methylsulfanylmethyl)benzamide?
The IUPAC name of N-(4-hydroxyphenyl)-4-(methylsulfanylmethyl)benzamide (CID 51193769) is N-(4-hydroxyphenyl)-4-(methylsulfanylmethyl)benzamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-4-(methylsulfanylmethyl)benzamide?
The canonical SMILES for N-(4-hydroxyphenyl)-4-(methylsulfanylmethyl)benzamide is CSCc1ccc(C(=O)Nc2ccc(O)cc2)cc1.
What is the InChIKey of N-(4-hydroxyphenyl)-4-(methylsulfanylmethyl)benzamide?
The InChIKey is GOWOYAYULFGFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c1-19-10-11-2-4-12(5-3-11)15(18)16-13-6-8-14(17)9-7-13/h2-9,17H,10H2,1H3,(H,16,18).
What are the key properties of N-(4-hydroxyphenyl)-4-(methylsulfanylmethyl)benzamide?
N-(4-hydroxyphenyl)-4-(methylsulfanylmethyl)benzamide has a molecular weight of 273.36 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-4-(methylsulfanylmethyl)benzamide is sourced from PubChem (CID 51193769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).