2-[(2,6-dichlorophenyl)methylsulfanyl]-N-pyridin-3-ylacetamide

C14H12Cl2N2OS — CID 951606

IUPAC2-[(2,6-dichlorophenyl)methylsulfanyl]-N-pyridin-3-ylacetamide
SMILESO=C(CSCc1c(Cl)cccc1Cl)Nc1cccnc1
InChIInChI=1S/C14H12Cl2N2OS/c15-12-4-1-5-13(16)11(12)8-20-9-14(19)18-10-3-2-6-17-7-10/h1-7H,8-9H2,(H,18,19)
InChIKeyCGUDBVFGZLGGMF-UHFFFAOYSA-N
MW327.24 g/mol
LogP4.26
Rot. Bonds5

About 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-pyridin-3-ylacetamide

2-[(2,6-dichlorophenyl)methylsulfanyl]-N-pyridin-3-ylacetamide (PubChem CID 951606) has the molecular formula C14H12Cl2N2OS and a molecular weight of 327.24 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methylsulfanyl]-N-pyridin-3-ylacetamide
PubChem CID951606
Molecular FormulaC14H12Cl2N2OS
Molecular Weight327.24 g/mol
Exact Mass326.00
IUPAC Name2-[(2,6-dichlorophenyl)methylsulfanyl]-N-pyridin-3-ylacetamide
SMILESO=C(CSCc1c(Cl)cccc1Cl)Nc1cccnc1
InChIInChI=1S/C14H12Cl2N2OS/c15-12-4-1-5-13(16)11(12)8-20-9-14(19)18-10-3-2-6-17-7-10/h1-7H,8-9H2,(H,18,19)
InChIKeyCGUDBVFGZLGGMF-UHFFFAOYSA-N
XLogP4.26
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 ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-[(2,6-dichlorophenyl)methylsulfanyl]acetyl]amino]benzoate
CID 7309260
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 100508961
3-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]amino]benzamide
CID 53278977
2-[4-[2-oxo-2-(pyridin-3-ylamino)ethyl]phenyl]-N-pyridin-3-ylacetamide
CID 177434462
N-(3-acetamidophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide
CID 17309885
N-[4-(aminomethyl)phenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 166227163
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 126186044
N-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide
CID 17297337
2-cyclopropyl-N-pyridin-3-ylacetamide
CID 131129634
methyl 2-chloro-5-[[2-(pyridin-3-ylmethylsulfanyl)acetyl]amino]benzoate
CID 55671008
1-(2,3-dichlorophenyl)-3-pyridin-3-ylurea
CID 51062925
1-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-3-pyridin-3-ylurea
CID 17393832

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-pyridin-3-ylacetamide?
The IUPAC name of 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-pyridin-3-ylacetamide (CID 951606) is 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-pyridin-3-ylacetamide is O=C(CSCc1c(Cl)cccc1Cl)Nc1cccnc1.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-pyridin-3-ylacetamide?
The InChIKey is CGUDBVFGZLGGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2OS/c15-12-4-1-5-13(16)11(12)8-20-9-14(19)18-10-3-2-6-17-7-10/h1-7H,8-9H2,(H,18,19).
What are the key properties of 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-pyridin-3-ylacetamide?
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-pyridin-3-ylacetamide has a molecular weight of 327.24 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-pyridin-3-ylacetamide is sourced from PubChem (CID 951606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).