2-[2-(hydroxymethyl)phenyl]sulfanyl-N-methylbenzamide

C15H15NO2S — CID 2824943

IUPAC2-[2-(hydroxymethyl)phenyl]sulfanyl-N-methylbenzamide
SMILESCNC(=O)c1ccccc1Sc1ccccc1CO
InChIInChI=1S/C15H15NO2S/c1-16-15(18)12-7-3-5-9-14(12)19-13-8-4-2-6-11(13)10-17/h2-9,17H,10H2,1H3,(H,16,18)
InChIKeyBHDLHPHYDLRPIX-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.69
Rot. Bonds4

About 2-[2-(hydroxymethyl)phenyl]sulfanyl-N-methylbenzamide

2-[2-(hydroxymethyl)phenyl]sulfanyl-N-methylbenzamide (PubChem CID 2824943) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)phenyl]sulfanyl-N-methylbenzamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)phenyl]sulfanyl-N-methylbenzamide
PubChem CID2824943
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC Name2-[2-(hydroxymethyl)phenyl]sulfanyl-N-methylbenzamide
SMILESCNC(=O)c1ccccc1Sc1ccccc1CO
InChIInChI=1S/C15H15NO2S/c1-16-15(18)12-7-3-5-9-14(12)19-13-8-4-2-6-11(13)10-17/h2-9,17H,10H2,1H3,(H,16,18)
InChIKeyBHDLHPHYDLRPIX-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-(hydroxymethyl)phenyl]sulfanyl-N-methylbenzamide with MolForge

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

Launch Full Analysis

Related Compounds

2-{[N-benzylcarbamoyl]methylthio}benzoic acid
CID 2347074
2-({2-[(Methylamino)carbonyl]phenyl}sulfinyl)benzyl acetate
CID 2824945
2-({[Benzyl(ethyl)carbamoyl]methyl}sulfanyl)benzoic acid
CID 2361989
2-({2-[(Benzylamino)carbonyl]phenyl}thio)benzyl acetate
CID 2801931
9-hydroxy-N-methyl-10,10-dioxo-9H-thioxanthene-3-carboxamide
CID 44461309
Piperazine, 1-(2-((2-(hydroxymethyl)phenyl)thio)benzoyl)-4-methyl-, (Z)-2-butenedioate (1:1)
CID 24842188
2-(methylthio)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide
CID 56764210
2-(ethylthio)-N-(2-hydroxy-3-phenylpropyl)benzamide
CID 56765276
2-{[N-(2-phenylethyl)carbamoyl]methylthio}benzoic acid
CID 723799
2-[2-(hydroxymethyl)phenyl]sulfinyl-N-methylbenzamide
CID 2824944
[2-[2-(Methylcarbamoyl)phenyl]sulfanylphenyl]methyl acetate
CID 2824964
N-[(S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]o-(ethylthio)benzamide
CID 95379414

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)phenyl]sulfanyl-N-methylbenzamide?
The IUPAC name of 2-[2-(hydroxymethyl)phenyl]sulfanyl-N-methylbenzamide (CID 2824943) is 2-[2-(hydroxymethyl)phenyl]sulfanyl-N-methylbenzamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)phenyl]sulfanyl-N-methylbenzamide?
The canonical SMILES for 2-[2-(hydroxymethyl)phenyl]sulfanyl-N-methylbenzamide is CNC(=O)c1ccccc1Sc1ccccc1CO.
What is the InChIKey of 2-[2-(hydroxymethyl)phenyl]sulfanyl-N-methylbenzamide?
The InChIKey is BHDLHPHYDLRPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c1-16-15(18)12-7-3-5-9-14(12)19-13-8-4-2-6-11(13)10-17/h2-9,17H,10H2,1H3,(H,16,18).
What are the key properties of 2-[2-(hydroxymethyl)phenyl]sulfanyl-N-methylbenzamide?
2-[2-(hydroxymethyl)phenyl]sulfanyl-N-methylbenzamide has a molecular weight of 273.36 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)phenyl]sulfanyl-N-methylbenzamide is sourced from PubChem (CID 2824943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).