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

C14H14N2O2S — CID 64792989

IUPACN-[4-(hydroxymethyl)phenyl]-2-pyridin-4-ylsulfanylacetamide
SMILESO=C(CSc1ccncc1)Nc1ccc(CO)cc1
InChIInChI=1S/C14H14N2O2S/c17-9-11-1-3-12(4-2-11)16-14(18)10-19-13-5-7-15-8-6-13/h1-8,17H,9-10H2,(H,16,18)
InChIKeyWFYHWMYFHKODTD-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.30
Rot. Bonds5

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

N-[4-(hydroxymethyl)phenyl]-2-pyridin-4-ylsulfanylacetamide (PubChem CID 64792989) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)phenyl]-2-pyridin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)phenyl]-2-pyridin-4-ylsulfanylacetamide
PubChem CID64792989
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC NameN-[4-(hydroxymethyl)phenyl]-2-pyridin-4-ylsulfanylacetamide
SMILESO=C(CSc1ccncc1)Nc1ccc(CO)cc1
InChIInChI=1S/C14H14N2O2S/c17-9-11-1-3-12(4-2-11)16-14(18)10-19-13-5-7-15-8-6-13/h1-8,17H,9-10H2,(H,16,18)
InChIKeyWFYHWMYFHKODTD-UHFFFAOYSA-N
XLogP2.30
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-hydroxyethyl)phenyl]-2-pyridin-4-ylsulfanylacetamide
CID 61221777
N-(4-acetamidophenyl)-2-pyridin-4-ylsulfanylacetamide
CID 51160435
N-[4-(pyridin-4-ylmethyl)phenyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 5199579
2-phenylsulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]acetamide
CID 1332250
N-[4-(2-chlorophenoxy)phenyl]-2-pyridin-4-ylsulfanylacetamide
CID 25386787
5-[(2-pyridin-4-ylsulfanylacetyl)amino]pyridine-3-carboxylic acid
CID 63153996
N-(4-ethylphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide
CID 47262869
N-methyl-2-[4-[(2-phenylsulfanylacetyl)amino]phenyl]acetamide
CID 134062919
N-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide
CID 19712455
(2S)-2-[(2-pyridin-4-ylsulfanylacetyl)amino]propanoic acid
CID 61131663
1-hydroxy-3-pyridin-4-ylsulfanylpropan-2-one
CID 57118448
2-(4-tert-butylphenyl)sulfanyl-N-(4-ethylphenyl)acetamide
CID 3309206

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)phenyl]-2-pyridin-4-ylsulfanylacetamide?
The IUPAC name of N-[4-(hydroxymethyl)phenyl]-2-pyridin-4-ylsulfanylacetamide (CID 64792989) is N-[4-(hydroxymethyl)phenyl]-2-pyridin-4-ylsulfanylacetamide.
What is the SMILES notation for N-[4-(hydroxymethyl)phenyl]-2-pyridin-4-ylsulfanylacetamide?
The canonical SMILES for N-[4-(hydroxymethyl)phenyl]-2-pyridin-4-ylsulfanylacetamide is O=C(CSc1ccncc1)Nc1ccc(CO)cc1.
What is the InChIKey of N-[4-(hydroxymethyl)phenyl]-2-pyridin-4-ylsulfanylacetamide?
The InChIKey is WFYHWMYFHKODTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c17-9-11-1-3-12(4-2-11)16-14(18)10-19-13-5-7-15-8-6-13/h1-8,17H,9-10H2,(H,16,18).
What are the key properties of N-[4-(hydroxymethyl)phenyl]-2-pyridin-4-ylsulfanylacetamide?
N-[4-(hydroxymethyl)phenyl]-2-pyridin-4-ylsulfanylacetamide has a molecular weight of 274.35 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)phenyl]-2-pyridin-4-ylsulfanylacetamide is sourced from PubChem (CID 64792989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).