2-(4-chlorophenyl)sulfanyl-N-(4-pyrimidin-2-yloxyphenyl)acetamide

C18H14ClN3O2S — CID 55921251

IUPAC2-(4-chlorophenyl)sulfanyl-N-(4-pyrimidin-2-yloxyphenyl)acetamide
SMILESO=C(CSc1ccc(Cl)cc1)Nc1ccc(Oc2ncccn2)cc1
InChIInChI=1S/C18H14ClN3O2S/c19-13-2-8-16(9-3-13)25-12-17(23)22-14-4-6-15(7-5-14)24-18-20-10-1-11-21-18/h1-11H,12H2,(H,22,23)
InChIKeyZLGGJIPGNWTVCF-UHFFFAOYSA-N
MW371.85 g/mol
LogP4.65
Rot. Bonds6

About 2-(4-chlorophenyl)sulfanyl-N-(4-pyrimidin-2-yloxyphenyl)acetamide

2-(4-chlorophenyl)sulfanyl-N-(4-pyrimidin-2-yloxyphenyl)acetamide (PubChem CID 55921251) has the molecular formula C18H14ClN3O2S and a molecular weight of 371.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-(4-pyrimidin-2-yloxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-(4-pyrimidin-2-yloxyphenyl)acetamide
PubChem CID55921251
Molecular FormulaC18H14ClN3O2S
Molecular Weight371.85 g/mol
Exact Mass371.05
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-(4-pyrimidin-2-yloxyphenyl)acetamide
SMILESO=C(CSc1ccc(Cl)cc1)Nc1ccc(Oc2ncccn2)cc1
InChIInChI=1S/C18H14ClN3O2S/c19-13-2-8-16(9-3-13)25-12-17(23)22-14-4-6-15(7-5-14)24-18-20-10-1-11-21-18/h1-11H,12H2,(H,22,23)
InChIKeyZLGGJIPGNWTVCF-UHFFFAOYSA-N
XLogP4.65
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.85
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-chlorophenyl)sulfanyl-N-(4-pyrimidin-2-yloxyphenyl)butanamide
CID 60549417
3-phenylsulfanyl-N-(4-pyrimidin-2-yloxyphenyl)propanamide
CID 55834610
N-(4-chlorophenyl)-2-naphthalen-2-ylsulfanylacetamide
CID 4560101
2-(4-chlorophenyl)-N-[4-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]acetamide
CID 22783162
2-(4-chlorophenyl)sulfanyl-N-(4-fluorophenyl)acetamide
CID 738704
N-[4-(2-chlorophenoxy)phenyl]-2-pyridin-4-ylsulfanylacetamide
CID 25386787
N-(4-chlorophenyl)-2-(5-phenoxypyrimidin-2-yl)sulfanylacetamide
CID 166331146
N-[4-(2-anilino-2-oxoethyl)sulfanylphenyl]-2-(4-chlorophenyl)acetamide
CID 22775721
3-chloro-N-[4-[2-oxo-2-(4-phenoxyanilino)ethyl]sulfanylphenyl]benzamide
CID 23098901
N-[4-[2-(4-chloroanilino)-2-oxoethyl]sulfanylphenyl]-3,3-dimethylbutanamide
CID 19630200
2-(4-ethoxyphenyl)sulfanyl-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)acetamide
CID 48666930
5-chloro-2-fluoro-N-(4-pyrimidin-2-yloxyphenyl)benzamide
CID 47051311

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(4-pyrimidin-2-yloxyphenyl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(4-pyrimidin-2-yloxyphenyl)acetamide (CID 55921251) is 2-(4-chlorophenyl)sulfanyl-N-(4-pyrimidin-2-yloxyphenyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-(4-pyrimidin-2-yloxyphenyl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-(4-pyrimidin-2-yloxyphenyl)acetamide is O=C(CSc1ccc(Cl)cc1)Nc1ccc(Oc2ncccn2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-(4-pyrimidin-2-yloxyphenyl)acetamide?
The InChIKey is ZLGGJIPGNWTVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O2S/c19-13-2-8-16(9-3-13)25-12-17(23)22-14-4-6-15(7-5-14)24-18-20-10-1-11-21-18/h1-11H,12H2,(H,22,23).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-(4-pyrimidin-2-yloxyphenyl)acetamide?
2-(4-chlorophenyl)sulfanyl-N-(4-pyrimidin-2-yloxyphenyl)acetamide has a molecular weight of 371.85 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-(4-pyrimidin-2-yloxyphenyl)acetamide is sourced from PubChem (CID 55921251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).