N-[4-(2-chlorophenoxy)phenyl]-2-pyridin-4-ylsulfanylacetamide

C19H15ClN2O2S — CID 25386787

IUPACN-[4-(2-chlorophenoxy)phenyl]-2-pyridin-4-ylsulfanylacetamide
SMILESO=C(CSc1ccncc1)Nc1ccc(Oc2ccccc2Cl)cc1
InChIInChI=1S/C19H15ClN2O2S/c20-17-3-1-2-4-18(17)24-15-7-5-14(6-8-15)22-19(23)13-25-16-9-11-21-12-10-16/h1-12H,13H2,(H,22,23)
InChIKeyCIAUKZMRLSIAKC-UHFFFAOYSA-N
MW370.86 g/mol
LogP5.26
Rot. Bonds6

About N-[4-(2-chlorophenoxy)phenyl]-2-pyridin-4-ylsulfanylacetamide

N-[4-(2-chlorophenoxy)phenyl]-2-pyridin-4-ylsulfanylacetamide (PubChem CID 25386787) has the molecular formula C19H15ClN2O2S and a molecular weight of 370.86 g/mol. Its IUPAC name is N-[4-(2-chlorophenoxy)phenyl]-2-pyridin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[4-(2-chlorophenoxy)phenyl]-2-pyridin-4-ylsulfanylacetamide
PubChem CID25386787
Molecular FormulaC19H15ClN2O2S
Molecular Weight370.86 g/mol
Exact Mass370.05
IUPAC NameN-[4-(2-chlorophenoxy)phenyl]-2-pyridin-4-ylsulfanylacetamide
SMILESO=C(CSc1ccncc1)Nc1ccc(Oc2ccccc2Cl)cc1
InChIInChI=1S/C19H15ClN2O2S/c20-17-3-1-2-4-18(17)24-15-7-5-14(6-8-15)22-19(23)13-25-16-9-11-21-12-10-16/h1-12H,13H2,(H,22,23)
InChIKeyCIAUKZMRLSIAKC-UHFFFAOYSA-N
XLogP5.26
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.86
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2-pyridin-4-ylsulfanylacetamide
CID 51160435
N-[4-(2-chlorophenoxy)phenyl]-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 46685326
2-(4-chlorophenyl)sulfanyl-N-(4-pyrimidin-2-yloxyphenyl)acetamide
CID 55921251
N-[4-(2-chlorophenoxy)phenyl]-2-cyanoacetamide
CID 168524296
N-[4-(2-chlorophenoxy)phenyl]-2-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 46669153
N-[4-(2-chlorophenoxy)phenyl]-2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 46670097
N-[4-(hydroxymethyl)phenyl]-2-pyridin-4-ylsulfanylacetamide
CID 64792989
N-(3,4-dichlorophenyl)-2-phenylsulfanylacetamide
CID 767057
2-(2-chlorophenoxy)-N-pyridin-4-ylacetamide
CID 21229438
N-[4-(2-chlorophenoxy)phenyl]-2-[[4-(3-methoxypropyl)-5-oxo-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 41471933
N-[4-(2-chlorophenoxy)phenyl]-2-(3-cyano-1,2,4-triazol-4-yl)acetamide
CID 51288268
N-[4-(2-hydroxyethyl)phenyl]-2-pyridin-4-ylsulfanylacetamide
CID 61221777

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chlorophenoxy)phenyl]-2-pyridin-4-ylsulfanylacetamide?
The IUPAC name of N-[4-(2-chlorophenoxy)phenyl]-2-pyridin-4-ylsulfanylacetamide (CID 25386787) is N-[4-(2-chlorophenoxy)phenyl]-2-pyridin-4-ylsulfanylacetamide.
What is the SMILES notation for N-[4-(2-chlorophenoxy)phenyl]-2-pyridin-4-ylsulfanylacetamide?
The canonical SMILES for N-[4-(2-chlorophenoxy)phenyl]-2-pyridin-4-ylsulfanylacetamide is O=C(CSc1ccncc1)Nc1ccc(Oc2ccccc2Cl)cc1.
What is the InChIKey of N-[4-(2-chlorophenoxy)phenyl]-2-pyridin-4-ylsulfanylacetamide?
The InChIKey is CIAUKZMRLSIAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O2S/c20-17-3-1-2-4-18(17)24-15-7-5-14(6-8-15)22-19(23)13-25-16-9-11-21-12-10-16/h1-12H,13H2,(H,22,23).
What are the key properties of N-[4-(2-chlorophenoxy)phenyl]-2-pyridin-4-ylsulfanylacetamide?
N-[4-(2-chlorophenoxy)phenyl]-2-pyridin-4-ylsulfanylacetamide has a molecular weight of 370.86 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chlorophenoxy)phenyl]-2-pyridin-4-ylsulfanylacetamide is sourced from PubChem (CID 25386787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).