N-(3,5-dichlorophenyl)-2-(4-methoxyphenyl)-2-pyridin-2-ylsulfanylacetamide

C20H16Cl2N2O2S — CID 123457493

IUPACN-(3,5-dichlorophenyl)-2-(4-methoxyphenyl)-2-pyridin-2-ylsulfanylacetamide
SMILESCOc1ccc(C(Sc2ccccn2)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C20H16Cl2N2O2S/c1-26-17-7-5-13(6-8-17)19(27-18-4-2-3-9-23-18)20(25)24-16-11-14(21)10-15(22)12-16/h2-12,19H,1H3,(H,24,25)
InChIKeySOYNLSGNWXDONN-UHFFFAOYSA-N
MW419.33 g/mol
LogP5.87
Rot. Bonds6

About N-(3,5-dichlorophenyl)-2-(4-methoxyphenyl)-2-pyridin-2-ylsulfanylacetamide

N-(3,5-dichlorophenyl)-2-(4-methoxyphenyl)-2-pyridin-2-ylsulfanylacetamide (PubChem CID 123457493) has the molecular formula C20H16Cl2N2O2S and a molecular weight of 419.33 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2-(4-methoxyphenyl)-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2-(4-methoxyphenyl)-2-pyridin-2-ylsulfanylacetamide
PubChem CID123457493
Molecular FormulaC20H16Cl2N2O2S
Molecular Weight419.33 g/mol
Exact Mass418.03
IUPAC NameN-(3,5-dichlorophenyl)-2-(4-methoxyphenyl)-2-pyridin-2-ylsulfanylacetamide
SMILESCOc1ccc(C(Sc2ccccn2)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C20H16Cl2N2O2S/c1-26-17-7-5-13(6-8-17)19(27-18-4-2-3-9-23-18)20(25)24-16-11-14(21)10-15(22)12-16/h2-12,19H,1H3,(H,24,25)
InChIKeySOYNLSGNWXDONN-UHFFFAOYSA-N
XLogP5.87
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.33
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[(2-phenyl-2-pyridin-2-ylsulfanylacetyl)amino]benzoate
CID 123132769
(2R)-N-(2,6-diethylphenyl)-2-phenyl-2-pyridin-2-ylsulfanylacetamide
CID 7037129
N-[2-(4-methoxyphenyl)ethyl]-2-pyridin-2-ylsulfanylpropanamide
CID 51234182
(2S)-N-(4-methoxyphenyl)-2-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 41023427
dimethyl (2S,3S)-2,3-bis(pyridin-2-ylsulfanyl)butanedioate
CID 7140272
(2R)-N-(4-chlorophenyl)-2-pyridin-2-ylsulfanylbutanamide
CID 795640
N-[4-[2-(3-chloro-4-fluoroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-4-methoxybenzamide
CID 21167508
N-(2,5-dichlorophenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 16530287
N-(3,5-dichlorophenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-2-phenylacetamide
CID 135502847
2-(3-acetamidophenyl)sulfanyl-N-(4-methoxyphenyl)-2-phenylacetamide
CID 18901188
(2R)-N-(3-hydroxy-4-methoxyphenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 99802302
2-phenyl-2-pyridin-2-ylsulfanylacetic acid
CID 18073234

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2-(4-methoxyphenyl)-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-(3,5-dichlorophenyl)-2-(4-methoxyphenyl)-2-pyridin-2-ylsulfanylacetamide (CID 123457493) is N-(3,5-dichlorophenyl)-2-(4-methoxyphenyl)-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2-(4-methoxyphenyl)-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-2-(4-methoxyphenyl)-2-pyridin-2-ylsulfanylacetamide is COc1ccc(C(Sc2ccccn2)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of N-(3,5-dichlorophenyl)-2-(4-methoxyphenyl)-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is SOYNLSGNWXDONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N2O2S/c1-26-17-7-5-13(6-8-17)19(27-18-4-2-3-9-23-18)20(25)24-16-11-14(21)10-15(22)12-16/h2-12,19H,1H3,(H,24,25).
What are the key properties of N-(3,5-dichlorophenyl)-2-(4-methoxyphenyl)-2-pyridin-2-ylsulfanylacetamide?
N-(3,5-dichlorophenyl)-2-(4-methoxyphenyl)-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 419.33 g/mol, XLogP of 5.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-2-(4-methoxyphenyl)-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 123457493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).