N-(2,5-dichlorophenyl)-2-pyridin-2-ylsulfanylpropanamide

C14H12Cl2N2OS — CID 16530287

IUPACN-(2,5-dichlorophenyl)-2-pyridin-2-ylsulfanylpropanamide
SMILESCC(Sc1ccccn1)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H12Cl2N2OS/c1-9(20-13-4-2-3-7-17-13)14(19)18-12-8-10(15)5-6-11(12)16/h2-9H,1H3,(H,18,19)
InChIKeyKMORSHFYFGVWBD-UHFFFAOYSA-N
MW327.24 g/mol
LogP4.51
Rot. Bonds4

About N-(2,5-dichlorophenyl)-2-pyridin-2-ylsulfanylpropanamide

N-(2,5-dichlorophenyl)-2-pyridin-2-ylsulfanylpropanamide (PubChem CID 16530287) has the molecular formula C14H12Cl2N2OS and a molecular weight of 327.24 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-pyridin-2-ylsulfanylpropanamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-pyridin-2-ylsulfanylpropanamide
PubChem CID16530287
Molecular FormulaC14H12Cl2N2OS
Molecular Weight327.24 g/mol
Exact Mass326.00
IUPAC NameN-(2,5-dichlorophenyl)-2-pyridin-2-ylsulfanylpropanamide
SMILESCC(Sc1ccccn1)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H12Cl2N2OS/c1-9(20-13-4-2-3-7-17-13)14(19)18-12-8-10(15)5-6-11(12)16/h2-9H,1H3,(H,18,19)
InChIKeyKMORSHFYFGVWBD-UHFFFAOYSA-N
XLogP4.51
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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-(2,5-dichlorophenyl)-2-pyrimidin-2-ylsulfanylpropanamide
CID 18075928
(2R)-N-(2,5-dichlorophenyl)-2-phenylsulfanylpropanamide
CID 2501549
(2S)-N-(2,5-dimethylphenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 26806694
N-(2,5-dichlorophenyl)-2-quinazolin-4-ylsulfanylpropanamide
CID 42968881
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-pyridin-2-ylsulfanylpropanamide
CID 23886661
(2R)-N-(2-phenylphenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 40550522
2-pyridin-2-ylsulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 51234179
N-(2,5-dichlorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
CID 18075984
N-(3-amino-4-fluorophenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 43187475
2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,5-dichlorophenyl)propanamide
CID 16539514
N-(2,5-dichlorophenyl)-2-(2,4,6-trimethylphenyl)sulfanylpropanamide
CID 18207485
(2R)-2-pyridin-2-ylsulfanyl-N-(2,4,6-trimethylphenyl)propanamide
CID 674012

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-pyridin-2-ylsulfanylpropanamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-pyridin-2-ylsulfanylpropanamide (CID 16530287) is N-(2,5-dichlorophenyl)-2-pyridin-2-ylsulfanylpropanamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-pyridin-2-ylsulfanylpropanamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-pyridin-2-ylsulfanylpropanamide is CC(Sc1ccccn1)C(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-pyridin-2-ylsulfanylpropanamide?
The InChIKey is KMORSHFYFGVWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2OS/c1-9(20-13-4-2-3-7-17-13)14(19)18-12-8-10(15)5-6-11(12)16/h2-9H,1H3,(H,18,19).
What are the key properties of N-(2,5-dichlorophenyl)-2-pyridin-2-ylsulfanylpropanamide?
N-(2,5-dichlorophenyl)-2-pyridin-2-ylsulfanylpropanamide has a molecular weight of 327.24 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2-pyridin-2-ylsulfanylpropanamide is sourced from PubChem (CID 16530287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).