2-hydroxy-N-(3-pyridin-2-ylsulfanylpropyl)benzamide

C15H16N2O2S — CID 19079171

IUPAC2-hydroxy-N-(3-pyridin-2-ylsulfanylpropyl)benzamide
SMILESO=C(NCCCSc1ccccn1)c1ccccc1O
InChIInChI=1S/C15H16N2O2S/c18-13-7-2-1-6-12(13)15(19)17-10-5-11-20-14-8-3-4-9-16-14/h1-4,6-9,18H,5,10-11H2,(H,17,19)
InChIKeySKQSIXROORXRHG-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.70
Rot. Bonds6

About 2-hydroxy-N-(3-pyridin-2-ylsulfanylpropyl)benzamide

2-hydroxy-N-(3-pyridin-2-ylsulfanylpropyl)benzamide (PubChem CID 19079171) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-hydroxy-N-(3-pyridin-2-ylsulfanylpropyl)benzamide.

Molecular Properties

Compound Name2-hydroxy-N-(3-pyridin-2-ylsulfanylpropyl)benzamide
PubChem CID19079171
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name2-hydroxy-N-(3-pyridin-2-ylsulfanylpropyl)benzamide
SMILESO=C(NCCCSc1ccccn1)c1ccccc1O
InChIInChI=1S/C15H16N2O2S/c18-13-7-2-1-6-12(13)15(19)17-10-5-11-20-14-8-3-4-9-16-14/h1-4,6-9,18H,5,10-11H2,(H,17,19)
InChIKeySKQSIXROORXRHG-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-hydroxy-N-(3-pyridin-2-ylsulfanylpropyl)benzamide 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

N-(4-pyridin-2-ylsulfanylbutyl)benzamide
CID 67642549
4-chloro-N-(3-pyridin-2-ylsulfanylpropyl)benzamide
CID 22070190
2-pyridin-2-ylsulfanylethylcarbamic acid
CID 22357478
1-methyl-3-(3-pyridin-2-ylsulfanylpropyl)thiourea;hydrochloride
CID 21432758
2-hydroxy-N-(2-phenylsulfanylethyl)benzamide
CID 27887658
4-amino-2-hydroxy-N-[4-[3-(pyridin-2-yldisulfanyl)propanoylamino]butyl]benzamide
CID 123631637
2-hydroxy-N-[2-[2-[2-[(2-hydroxybenzoyl)amino]ethylamino]ethylamino]ethyl]benzamide
CID 101177175
N-methyl-4-pyridin-2-ylsulfanylbutan-1-amine
CID 62578791
N-(10-aminodecyl)-2-hydroxybenzamide;hydrochloride
CID 10268368
2-chloro-N-[3-(4-fluorophenyl)sulfanylpropyl]pyridine-3-carboxamide
CID 26635822
oxo(3-pyridin-2-ylsulfanylpropyl)phosphanium
CID 175332241
2-[3-(3-pyridin-2-ylsulfanylpropylsulfinyl)propylsulfanyl]pyridine
CID 56616691

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(3-pyridin-2-ylsulfanylpropyl)benzamide?
The IUPAC name of 2-hydroxy-N-(3-pyridin-2-ylsulfanylpropyl)benzamide (CID 19079171) is 2-hydroxy-N-(3-pyridin-2-ylsulfanylpropyl)benzamide.
What is the SMILES notation for 2-hydroxy-N-(3-pyridin-2-ylsulfanylpropyl)benzamide?
The canonical SMILES for 2-hydroxy-N-(3-pyridin-2-ylsulfanylpropyl)benzamide is O=C(NCCCSc1ccccn1)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N-(3-pyridin-2-ylsulfanylpropyl)benzamide?
The InChIKey is SKQSIXROORXRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c18-13-7-2-1-6-12(13)15(19)17-10-5-11-20-14-8-3-4-9-16-14/h1-4,6-9,18H,5,10-11H2,(H,17,19).
What are the key properties of 2-hydroxy-N-(3-pyridin-2-ylsulfanylpropyl)benzamide?
2-hydroxy-N-(3-pyridin-2-ylsulfanylpropyl)benzamide has a molecular weight of 288.37 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(3-pyridin-2-ylsulfanylpropyl)benzamide is sourced from PubChem (CID 19079171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).