N-phenyl-2-pyridin-2-ylsulfanylpropanamide

C14H14N2OS — CID 2939248

IUPACN-phenyl-2-pyridin-2-ylsulfanylpropanamide
SMILESCC(Sc1ccccn1)C(=O)Nc1ccccc1
InChIInChI=1S/C14H14N2OS/c1-11(18-13-9-5-6-10-15-13)14(17)16-12-7-3-2-4-8-12/h2-11H,1H3,(H,16,17)
InChIKeyUQEFJWLATZOVCF-UHFFFAOYSA-N
MW258.35 g/mol
LogP3.20
Rot. Bonds4

About N-phenyl-2-pyridin-2-ylsulfanylpropanamide

N-phenyl-2-pyridin-2-ylsulfanylpropanamide (PubChem CID 2939248) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is N-phenyl-2-pyridin-2-ylsulfanylpropanamide.

Molecular Properties

Compound NameN-phenyl-2-pyridin-2-ylsulfanylpropanamide
PubChem CID2939248
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC NameN-phenyl-2-pyridin-2-ylsulfanylpropanamide
SMILESCC(Sc1ccccn1)C(=O)Nc1ccccc1
InChIInChI=1S/C14H14N2OS/c1-11(18-13-9-5-6-10-15-13)14(17)16-12-7-3-2-4-8-12/h2-11H,1H3,(H,16,17)
InChIKeyUQEFJWLATZOVCF-UHFFFAOYSA-N
XLogP3.20
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-phenyl-2-pyridin-2-ylsulfanylpropanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-pyridin-2-ylsulfanylpropanamide?
The IUPAC name of N-phenyl-2-pyridin-2-ylsulfanylpropanamide (CID 2939248) is N-phenyl-2-pyridin-2-ylsulfanylpropanamide.
What is the SMILES notation for N-phenyl-2-pyridin-2-ylsulfanylpropanamide?
The canonical SMILES for N-phenyl-2-pyridin-2-ylsulfanylpropanamide is CC(Sc1ccccn1)C(=O)Nc1ccccc1.
What is the InChIKey of N-phenyl-2-pyridin-2-ylsulfanylpropanamide?
The InChIKey is UQEFJWLATZOVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c1-11(18-13-9-5-6-10-15-13)14(17)16-12-7-3-2-4-8-12/h2-11H,1H3,(H,16,17).
What are the key properties of N-phenyl-2-pyridin-2-ylsulfanylpropanamide?
N-phenyl-2-pyridin-2-ylsulfanylpropanamide has a molecular weight of 258.35 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-pyridin-2-ylsulfanylpropanamide is sourced from PubChem (CID 2939248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).