N-(2-cyanoethyl)-2-phenylsulfanyl-N-(pyridin-3-ylmethyl)propanamide

C18H19N3OS — CID 4878299

IUPACN-(2-cyanoethyl)-2-phenylsulfanyl-N-(pyridin-3-ylmethyl)propanamide
SMILESCC(Sc1ccccc1)C(=O)N(CCC#N)Cc1cccnc1
InChIInChI=1S/C18H19N3OS/c1-15(23-17-8-3-2-4-9-17)18(22)21(12-6-10-19)14-16-7-5-11-20-13-16/h2-5,7-9,11,13,15H,6,12,14H2,1H3
InChIKeyQAQPGSBSQMNPGE-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.50
Rot. Bonds7

About N-(2-cyanoethyl)-2-phenylsulfanyl-N-(pyridin-3-ylmethyl)propanamide

N-(2-cyanoethyl)-2-phenylsulfanyl-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 4878299) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-phenylsulfanyl-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-phenylsulfanyl-N-(pyridin-3-ylmethyl)propanamide
PubChem CID4878299
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC NameN-(2-cyanoethyl)-2-phenylsulfanyl-N-(pyridin-3-ylmethyl)propanamide
SMILESCC(Sc1ccccc1)C(=O)N(CCC#N)Cc1cccnc1
InChIInChI=1S/C18H19N3OS/c1-15(23-17-8-3-2-4-9-17)18(22)21(12-6-10-19)14-16-7-5-11-20-13-16/h2-5,7-9,11,13,15H,6,12,14H2,1H3
InChIKeyQAQPGSBSQMNPGE-UHFFFAOYSA-N
XLogP3.50
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(2-cyanoethyl)-2-phenylsulfanyl-N-(pyridin-3-ylmethyl)propanamide 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-(2-cyanoethyl)-2-phenylsulfanyl-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of N-(2-cyanoethyl)-2-phenylsulfanyl-N-(pyridin-3-ylmethyl)propanamide (CID 4878299) is N-(2-cyanoethyl)-2-phenylsulfanyl-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-phenylsulfanyl-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for N-(2-cyanoethyl)-2-phenylsulfanyl-N-(pyridin-3-ylmethyl)propanamide is CC(Sc1ccccc1)C(=O)N(CCC#N)Cc1cccnc1.
What is the InChIKey of N-(2-cyanoethyl)-2-phenylsulfanyl-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is QAQPGSBSQMNPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-15(23-17-8-3-2-4-9-17)18(22)21(12-6-10-19)14-16-7-5-11-20-13-16/h2-5,7-9,11,13,15H,6,12,14H2,1H3.
What are the key properties of N-(2-cyanoethyl)-2-phenylsulfanyl-N-(pyridin-3-ylmethyl)propanamide?
N-(2-cyanoethyl)-2-phenylsulfanyl-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 325.44 g/mol, XLogP of 3.50, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-phenylsulfanyl-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 4878299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).