2-(2,5-dichlorophenyl)sulfanyl-N-(pyridin-4-ylmethyl)propanamide

C15H14Cl2N2OS — CID 47051274

IUPAC2-(2,5-dichlorophenyl)sulfanyl-N-(pyridin-4-ylmethyl)propanamide
SMILESCC(Sc1cc(Cl)ccc1Cl)C(=O)NCc1ccncc1
InChIInChI=1S/C15H14Cl2N2OS/c1-10(21-14-8-12(16)2-3-13(14)17)15(20)19-9-11-4-6-18-7-5-11/h2-8,10H,9H2,1H3,(H,19,20)
InChIKeyCQHBMUXBQHDLFJ-UHFFFAOYSA-N
MW341.26 g/mol
LogP4.19
Rot. Bonds5

About 2-(2,5-dichlorophenyl)sulfanyl-N-(pyridin-4-ylmethyl)propanamide

2-(2,5-dichlorophenyl)sulfanyl-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 47051274) has the molecular formula C15H14Cl2N2OS and a molecular weight of 341.26 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)sulfanyl-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)sulfanyl-N-(pyridin-4-ylmethyl)propanamide
PubChem CID47051274
Molecular FormulaC15H14Cl2N2OS
Molecular Weight341.26 g/mol
Exact Mass340.02
IUPAC Name2-(2,5-dichlorophenyl)sulfanyl-N-(pyridin-4-ylmethyl)propanamide
SMILESCC(Sc1cc(Cl)ccc1Cl)C(=O)NCc1ccncc1
InChIInChI=1S/C15H14Cl2N2OS/c1-10(21-14-8-12(16)2-3-13(14)17)15(20)19-9-11-4-6-18-7-5-11/h2-8,10H,9H2,1H3,(H,19,20)
InChIKeyCQHBMUXBQHDLFJ-UHFFFAOYSA-N
XLogP4.19
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.26
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,5-dichlorophenyl)sulfanyl-N-(pyridin-4-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

Related Compounds

2-(2,5-dichlorophenyl)sulfanyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide
CID 55838406
2-(2,5-dichlorophenyl)sulfanyl-N-(2-imidazol-1-ylethyl)propanamide
CID 47061387
(2R)-2-(2,5-dichlorophenyl)sulfanyl-N-(furan-2-ylmethyl)propanamide
CID 7870521
2-(2,5-dichlorophenyl)sulfanyl-N-(3-hydroxybutyl)propanamide
CID 111433355
N-(3-aminobutyl)-2-(2,5-dichlorophenyl)sulfanylpropanamide
CID 119497529
N-(pyridin-4-ylmethyl)-2-pyrimidin-2-ylsulfanylpropanamide
CID 47408950
2-(2,5-dichlorophenyl)sulfanyl-N-[2-(methylamino)propyl]propanamide;hydrochloride
CID 120830416
(2S)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)propanamide
CID 126393592
2-(2,5-dichlorophenyl)sulfanyl-N-(2-methyl-3-pyrazol-1-ylpropyl)propanamide
CID 55980923
2-(2,5-dichlorophenyl)sulfanyl-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]propanamide
CID 55838058
2-(2,5-dichlorophenyl)sulfanyl-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide
CID 55911629
(2R)-N-(5-chloro-2-pyridinyl)-2-(2,5-dichlorophenyl)sulfanylpropanamide
CID 2536471

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-N-(pyridin-4-ylmethyl)propanamide (CID 47051274) is 2-(2,5-dichlorophenyl)sulfanyl-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for 2-(2,5-dichlorophenyl)sulfanyl-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for 2-(2,5-dichlorophenyl)sulfanyl-N-(pyridin-4-ylmethyl)propanamide is CC(Sc1cc(Cl)ccc1Cl)C(=O)NCc1ccncc1.
What is the InChIKey of 2-(2,5-dichlorophenyl)sulfanyl-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is CQHBMUXBQHDLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2OS/c1-10(21-14-8-12(16)2-3-13(14)17)15(20)19-9-11-4-6-18-7-5-11/h2-8,10H,9H2,1H3,(H,19,20).
What are the key properties of 2-(2,5-dichlorophenyl)sulfanyl-N-(pyridin-4-ylmethyl)propanamide?
2-(2,5-dichlorophenyl)sulfanyl-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 341.26 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)sulfanyl-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 47051274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).