N-(2,4-dichlorophenyl)-3-pyridin-2-ylsulfanylpropanamide

C14H12Cl2N2OS — CID 23804232

IUPACN-(2,4-dichlorophenyl)-3-pyridin-2-ylsulfanylpropanamide
SMILESO=C(CCSc1ccccn1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H12Cl2N2OS/c15-10-4-5-12(11(16)9-10)18-13(19)6-8-20-14-3-1-2-7-17-14/h1-5,7,9H,6,8H2,(H,18,19)
InChIKeyNCLSSBDFRDTOOF-UHFFFAOYSA-N
MW327.24 g/mol
LogP4.51
Rot. Bonds5

About N-(2,4-dichlorophenyl)-3-pyridin-2-ylsulfanylpropanamide

N-(2,4-dichlorophenyl)-3-pyridin-2-ylsulfanylpropanamide (PubChem CID 23804232) has the molecular formula C14H12Cl2N2OS and a molecular weight of 327.24 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-3-pyridin-2-ylsulfanylpropanamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-3-pyridin-2-ylsulfanylpropanamide
PubChem CID23804232
Molecular FormulaC14H12Cl2N2OS
Molecular Weight327.24 g/mol
Exact Mass326.00
IUPAC NameN-(2,4-dichlorophenyl)-3-pyridin-2-ylsulfanylpropanamide
SMILESO=C(CCSc1ccccn1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H12Cl2N2OS/c15-10-4-5-12(11(16)9-10)18-13(19)6-8-20-14-3-1-2-7-17-14/h1-5,7,9H,6,8H2,(H,18,19)
InChIKeyNCLSSBDFRDTOOF-UHFFFAOYSA-N
XLogP4.51
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.24
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethylphenyl)-3-pyridin-2-ylsulfanylpropanamide
CID 23833046
N-(2,4-dichlorophenyl)-3-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylpropanamide
CID 46305213
N-(2,4-dimethoxyphenyl)-3-pyridin-2-ylsulfanylpropanamide
CID 23746050
N-(4-iodophenyl)-3-pyridin-2-ylsulfanylpropanamide
CID 23804280
N-(2,5-dichlorophenyl)-3-quinolin-2-ylsulfanylpropanamide
CID 39765768
5-chloro-N-(2,4-dichlorophenyl)pentanamide
CID 28727917
N-(2-chlorophenyl)-3-(2,4-dichloroanilino)propanamide
CID 109037852
2-pyridin-2-ylsulfanyl-N-(2,3,4-trifluorophenyl)acetamide
CID 16530327
4-amino-N-(2,4-dichlorophenyl)-4-phenylbutanamide
CID 63323928
3-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(2,4-dichlorophenyl)propanamide
CID 23832975
N'-(2,4-dichlorophenyl)-N-(pyridin-2-ylmethyl)oxamide
CID 108502784
4-chloro-N-(3-pyridin-2-ylsulfanylpropyl)benzamide
CID 22070190

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-3-pyridin-2-ylsulfanylpropanamide?
The IUPAC name of N-(2,4-dichlorophenyl)-3-pyridin-2-ylsulfanylpropanamide (CID 23804232) is N-(2,4-dichlorophenyl)-3-pyridin-2-ylsulfanylpropanamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-3-pyridin-2-ylsulfanylpropanamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-3-pyridin-2-ylsulfanylpropanamide is O=C(CCSc1ccccn1)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2,4-dichlorophenyl)-3-pyridin-2-ylsulfanylpropanamide?
The InChIKey is NCLSSBDFRDTOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2OS/c15-10-4-5-12(11(16)9-10)18-13(19)6-8-20-14-3-1-2-7-17-14/h1-5,7,9H,6,8H2,(H,18,19).
What are the key properties of N-(2,4-dichlorophenyl)-3-pyridin-2-ylsulfanylpropanamide?
N-(2,4-dichlorophenyl)-3-pyridin-2-ylsulfanylpropanamide has a molecular weight of 327.24 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-3-pyridin-2-ylsulfanylpropanamide is sourced from PubChem (CID 23804232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).