2-(2,5-dichlorophenyl)sulfanyl-N-(2-methyl-3-pyrazol-1-ylpropyl)propanamide

C16H19Cl2N3OS — CID 55980923

IUPAC2-(2,5-dichlorophenyl)sulfanyl-N-(2-methyl-3-pyrazol-1-ylpropyl)propanamide
SMILESCC(CNC(=O)C(C)Sc1cc(Cl)ccc1Cl)Cn1cccn1
InChIInChI=1S/C16H19Cl2N3OS/c1-11(10-21-7-3-6-20-21)9-19-16(22)12(2)23-15-8-13(17)4-5-14(15)18/h3-8,11-12H,9-10H2,1-2H3,(H,19,22)
InChIKeyQNMLDXYKWIUDTB-UHFFFAOYSA-N
MW372.32 g/mol
LogP4.12
Rot. Bonds7

About 2-(2,5-dichlorophenyl)sulfanyl-N-(2-methyl-3-pyrazol-1-ylpropyl)propanamide

2-(2,5-dichlorophenyl)sulfanyl-N-(2-methyl-3-pyrazol-1-ylpropyl)propanamide (PubChem CID 55980923) has the molecular formula C16H19Cl2N3OS and a molecular weight of 372.32 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)sulfanyl-N-(2-methyl-3-pyrazol-1-ylpropyl)propanamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)sulfanyl-N-(2-methyl-3-pyrazol-1-ylpropyl)propanamide
PubChem CID55980923
Molecular FormulaC16H19Cl2N3OS
Molecular Weight372.32 g/mol
Exact Mass371.06
IUPAC Name2-(2,5-dichlorophenyl)sulfanyl-N-(2-methyl-3-pyrazol-1-ylpropyl)propanamide
SMILESCC(CNC(=O)C(C)Sc1cc(Cl)ccc1Cl)Cn1cccn1
InChIInChI=1S/C16H19Cl2N3OS/c1-11(10-21-7-3-6-20-21)9-19-16(22)12(2)23-15-8-13(17)4-5-14(15)18/h3-8,11-12H,9-10H2,1-2H3,(H,19,22)
InChIKeyQNMLDXYKWIUDTB-UHFFFAOYSA-N
XLogP4.12
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.32
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dichlorophenoxy)-N-(2-methyl-3-pyrazol-1-ylpropyl)propanamide
CID 55980921
2-(2,5-dichlorophenyl)sulfanyl-N-(2-imidazol-1-ylethyl)propanamide
CID 47061387
2-(2,5-dichlorophenyl)sulfanyl-N-(pyridin-4-ylmethyl)propanamide
CID 47051274
2-(2,5-dichlorophenyl)sulfanyl-N-[2-(methylamino)propyl]propanamide;hydrochloride
CID 120830416
(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
2-(2,5-dichlorophenyl)sulfanylpentan-3-one
CID 60975325
2-chloro-N-[1-[(2-methyl-3-pyrazol-1-ylpropyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 55733989
N-[2-[2-(2,5-dichlorophenyl)sulfanylpropanoylamino]ethyl]-2-fluorobenzamide
CID 55974574
1-[2-(4-chlorophenyl)ethyl]-2-methyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine
CID 111197250
1-[2-(3-chlorophenyl)ethyl]-2-methyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111358453

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-N-(2-methyl-3-pyrazol-1-ylpropyl)propanamide?
The IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-N-(2-methyl-3-pyrazol-1-ylpropyl)propanamide (CID 55980923) is 2-(2,5-dichlorophenyl)sulfanyl-N-(2-methyl-3-pyrazol-1-ylpropyl)propanamide.
What is the SMILES notation for 2-(2,5-dichlorophenyl)sulfanyl-N-(2-methyl-3-pyrazol-1-ylpropyl)propanamide?
The canonical SMILES for 2-(2,5-dichlorophenyl)sulfanyl-N-(2-methyl-3-pyrazol-1-ylpropyl)propanamide is CC(CNC(=O)C(C)Sc1cc(Cl)ccc1Cl)Cn1cccn1.
What is the InChIKey of 2-(2,5-dichlorophenyl)sulfanyl-N-(2-methyl-3-pyrazol-1-ylpropyl)propanamide?
The InChIKey is QNMLDXYKWIUDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3OS/c1-11(10-21-7-3-6-20-21)9-19-16(22)12(2)23-15-8-13(17)4-5-14(15)18/h3-8,11-12H,9-10H2,1-2H3,(H,19,22).
What are the key properties of 2-(2,5-dichlorophenyl)sulfanyl-N-(2-methyl-3-pyrazol-1-ylpropyl)propanamide?
2-(2,5-dichlorophenyl)sulfanyl-N-(2-methyl-3-pyrazol-1-ylpropyl)propanamide has a molecular weight of 372.32 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)sulfanyl-N-(2-methyl-3-pyrazol-1-ylpropyl)propanamide is sourced from PubChem (CID 55980923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).