2-[2-(disulfanyl)phenyl]-2-pyridin-2-ylacetamide

C13H12N2OS2 — CID 88549065

IUPAC2-[2-(disulfanyl)phenyl]-2-pyridin-2-ylacetamide
SMILESNC(=O)C(c1ccccn1)c1ccccc1SS
InChIInChI=1S/C13H12N2OS2/c14-13(16)12(10-6-3-4-8-15-10)9-5-1-2-7-11(9)18-17/h1-8,12,17H,(H2,14,16)
InChIKeyVSDIYHVRYCPMAX-UHFFFAOYSA-N
MW276.39 g/mol
LogP2.64
Rot. Bonds4

About 2-[2-(disulfanyl)phenyl]-2-pyridin-2-ylacetamide

2-[2-(disulfanyl)phenyl]-2-pyridin-2-ylacetamide (PubChem CID 88549065) has the molecular formula C13H12N2OS2 and a molecular weight of 276.39 g/mol. Its IUPAC name is 2-[2-(disulfanyl)phenyl]-2-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(disulfanyl)phenyl]-2-pyridin-2-ylacetamide
PubChem CID88549065
Molecular FormulaC13H12N2OS2
Molecular Weight276.39 g/mol
Exact Mass276.04
IUPAC Name2-[2-(disulfanyl)phenyl]-2-pyridin-2-ylacetamide
SMILESNC(=O)C(c1ccccn1)c1ccccc1SS
InChIInChI=1S/C13H12N2OS2/c14-13(16)12(10-6-3-4-8-15-10)9-5-1-2-7-11(9)18-17/h1-8,12,17H,(H2,14,16)
InChIKeyVSDIYHVRYCPMAX-UHFFFAOYSA-N
XLogP2.64
TPSA55.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-[2-(disulfanyl)phenyl]-2-pyridin-2-ylacetamide 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

3,3,3-trifluoro-2-pyridin-2-ylpropanamide
CID 174447442
2-(2-methylphenyl)-2-pyridin-2-ylacetic acid
CID 82040348
2,2-dipyridin-2-ylethanethioamide
CID 3035355
2,3-dihydroxy-3-pyridin-2-ylpropanamide
CID 171867575
2-(methylamino)-2-pyridin-2-ylacetamide
CID 82111263
2-pyridin-2-yl-2-pyridin-2-ylsulfanylacetamide;dihydrochloride
CID 21151060
1-(2-methoxyphenyl)-1-pyridin-2-ylpropan-2-one
CID 66848705
[pyridin-2-yl(sulfanyl)methyl] carbamate;hydrochloride
CID 3021537
2-(2-methylpropylsulfanyl)-2-pyridin-2-ylacetamide
CID 21151398
(2R)-2-[[(R)-phenyl(pyridin-2-yl)methyl]amino]propanamide
CID 34156658
(R)-(2-methylsulfanylphenyl)-pyridin-2-ylmethanol
CID 97292943
2-pyridin-2-ylheptanediamide
CID 66894165

Frequently Asked Questions

What is the IUPAC name of 2-[2-(disulfanyl)phenyl]-2-pyridin-2-ylacetamide?
The IUPAC name of 2-[2-(disulfanyl)phenyl]-2-pyridin-2-ylacetamide (CID 88549065) is 2-[2-(disulfanyl)phenyl]-2-pyridin-2-ylacetamide.
What is the SMILES notation for 2-[2-(disulfanyl)phenyl]-2-pyridin-2-ylacetamide?
The canonical SMILES for 2-[2-(disulfanyl)phenyl]-2-pyridin-2-ylacetamide is NC(=O)C(c1ccccn1)c1ccccc1SS.
What is the InChIKey of 2-[2-(disulfanyl)phenyl]-2-pyridin-2-ylacetamide?
The InChIKey is VSDIYHVRYCPMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2OS2/c14-13(16)12(10-6-3-4-8-15-10)9-5-1-2-7-11(9)18-17/h1-8,12,17H,(H2,14,16).
What are the key properties of 2-[2-(disulfanyl)phenyl]-2-pyridin-2-ylacetamide?
2-[2-(disulfanyl)phenyl]-2-pyridin-2-ylacetamide has a molecular weight of 276.39 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(disulfanyl)phenyl]-2-pyridin-2-ylacetamide is sourced from PubChem (CID 88549065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).