N-[2-(2,4-dichlorophenyl)ethyl]-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetamide

C19H16Cl2N4OS — CID 58905109

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetamide
SMILESO=C(CSc1nccc(-c2ccccn2)n1)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H16Cl2N4OS/c20-14-5-4-13(15(21)11-14)6-9-23-18(26)12-27-19-24-10-7-17(25-19)16-3-1-2-8-22-16/h1-5,7-8,10-11H,6,9,12H2,(H,23,26)
InChIKeyHWWQSDCQLITYIQ-UHFFFAOYSA-N
MW419.34 g/mol
LogP4.30
Rot. Bonds7

About N-[2-(2,4-dichlorophenyl)ethyl]-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetamide

N-[2-(2,4-dichlorophenyl)ethyl]-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 58905109) has the molecular formula C19H16Cl2N4OS and a molecular weight of 419.34 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetamide
PubChem CID58905109
Molecular FormulaC19H16Cl2N4OS
Molecular Weight419.34 g/mol
Exact Mass418.04
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetamide
SMILESO=C(CSc1nccc(-c2ccccn2)n1)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H16Cl2N4OS/c20-14-5-4-13(15(21)11-14)6-9-23-18(26)12-27-19-24-10-7-17(25-19)16-3-1-2-8-22-16/h1-5,7-8,10-11H,6,9,12H2,(H,23,26)
InChIKeyHWWQSDCQLITYIQ-UHFFFAOYSA-N
XLogP4.30
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.34
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-phenylethyl)-2-(4-phenylpyrimidin-2-yl)sulfanylacetamide
CID 6487647
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide
CID 23762047
2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetate
CID 58904910
N-[2-(2-fluorophenyl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 9202409
N-(4-chlorophenyl)-N-methyl-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetamide
CID 58905098
N-[2-(2,4-dichlorophenyl)ethyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide
CID 9454283
3-(propanoylamino)propyl 2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetate
CID 58904853
2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide
CID 42741839
2-[4-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-[2-(2,4-dichlorophenyl)ethyl]acetamide
CID 3447546
N-(2-phenylethyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 846435
N-[2-(2,4-dichlorophenyl)ethyl]-4-oxo-4-pyridin-3-ylbutanamide
CID 110416767
N-[2-(2,4-dichlorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 2713418

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetamide (CID 58905109) is N-[2-(2,4-dichlorophenyl)ethyl]-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetamide is O=C(CSc1nccc(-c2ccccn2)n1)NCCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is HWWQSDCQLITYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4OS/c20-14-5-4-13(15(21)11-14)6-9-23-18(26)12-27-19-24-10-7-17(25-19)16-3-1-2-8-22-16/h1-5,7-8,10-11H,6,9,12H2,(H,23,26).
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetamide?
N-[2-(2,4-dichlorophenyl)ethyl]-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 419.34 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 58905109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).