N-[[2-(hydroxymethyl)phenyl]methyl]-2-pyridin-4-ylsulfanylacetamide

C15H16N2O2S — CID 110908962

IUPACN-[[2-(hydroxymethyl)phenyl]methyl]-2-pyridin-4-ylsulfanylacetamide
SMILESO=C(CSc1ccncc1)NCc1ccccc1CO
InChIInChI=1S/C15H16N2O2S/c18-10-13-4-2-1-3-12(13)9-17-15(19)11-20-14-5-7-16-8-6-14/h1-8,18H,9-11H2,(H,17,19)
InChIKeyKVZDDTBVADMCOZ-UHFFFAOYSA-N
MW288.37 g/mol
LogP1.98
Rot. Bonds6

About N-[[2-(hydroxymethyl)phenyl]methyl]-2-pyridin-4-ylsulfanylacetamide

N-[[2-(hydroxymethyl)phenyl]methyl]-2-pyridin-4-ylsulfanylacetamide (PubChem CID 110908962) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-[[2-(hydroxymethyl)phenyl]methyl]-2-pyridin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[[2-(hydroxymethyl)phenyl]methyl]-2-pyridin-4-ylsulfanylacetamide
PubChem CID110908962
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC NameN-[[2-(hydroxymethyl)phenyl]methyl]-2-pyridin-4-ylsulfanylacetamide
SMILESO=C(CSc1ccncc1)NCc1ccccc1CO
InChIInChI=1S/C15H16N2O2S/c18-10-13-4-2-1-3-12(13)9-17-15(19)11-20-14-5-7-16-8-6-14/h1-8,18H,9-11H2,(H,17,19)
InChIKeyKVZDDTBVADMCOZ-UHFFFAOYSA-N
XLogP1.98
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[2-(hydroxymethyl)phenyl]methyl]-2-pyridin-4-ylsulfanylacetamide 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-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide
CID 801588
N-[(2-imidazol-1-ylphenyl)methyl]-2-pyridin-4-ylsulfanylacetamide
CID 131924662
N-[(3-fluorophenyl)methyl]-2-pyridin-4-ylsulfanylacetamide
CID 86926259
2-phenylsulfanyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 9143003
N-(3-hydroxy-2-methylpropyl)-2-pyridin-4-ylsulfanylacetamide
CID 65032260
N-(5-hydroxypentyl)-2-pyridin-4-ylsulfanylacetamide
CID 107318881
3-[(2-pyridin-4-ylsulfanylacetyl)amino]propanoic acid
CID 43354856
2-naphthalen-2-ylsulfanyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 34581407
N-ethyl-3-[[(2-pyridin-4-ylsulfanylacetyl)amino]methyl]benzamide
CID 86991735
N-(2-methylprop-2-enyl)-2-pyridin-4-ylsulfanylacetamide
CID 114618823
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-pyridin-4-ylsulfanylacetamide
CID 36949894
2-(4-methoxyphenyl)sulfanyl-N-(naphthalen-1-ylmethyl)acetamide
CID 112816195

Frequently Asked Questions

What is the IUPAC name of N-[[2-(hydroxymethyl)phenyl]methyl]-2-pyridin-4-ylsulfanylacetamide?
The IUPAC name of N-[[2-(hydroxymethyl)phenyl]methyl]-2-pyridin-4-ylsulfanylacetamide (CID 110908962) is N-[[2-(hydroxymethyl)phenyl]methyl]-2-pyridin-4-ylsulfanylacetamide.
What is the SMILES notation for N-[[2-(hydroxymethyl)phenyl]methyl]-2-pyridin-4-ylsulfanylacetamide?
The canonical SMILES for N-[[2-(hydroxymethyl)phenyl]methyl]-2-pyridin-4-ylsulfanylacetamide is O=C(CSc1ccncc1)NCc1ccccc1CO.
What is the InChIKey of N-[[2-(hydroxymethyl)phenyl]methyl]-2-pyridin-4-ylsulfanylacetamide?
The InChIKey is KVZDDTBVADMCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c18-10-13-4-2-1-3-12(13)9-17-15(19)11-20-14-5-7-16-8-6-14/h1-8,18H,9-11H2,(H,17,19).
What are the key properties of N-[[2-(hydroxymethyl)phenyl]methyl]-2-pyridin-4-ylsulfanylacetamide?
N-[[2-(hydroxymethyl)phenyl]methyl]-2-pyridin-4-ylsulfanylacetamide has a molecular weight of 288.37 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(hydroxymethyl)phenyl]methyl]-2-pyridin-4-ylsulfanylacetamide is sourced from PubChem (CID 110908962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).