2-phenoxy-N-[2-(pyridin-2-ylmethylsulfanyl)-3-pyridinyl]acetamide

C19H17N3O2S — CID 75490207

IUPAC2-phenoxy-N-[2-(pyridin-2-ylmethylsulfanyl)-3-pyridinyl]acetamide
SMILESO=C(COc1ccccc1)Nc1cccnc1SCc1ccccn1
InChIInChI=1S/C19H17N3O2S/c23-18(13-24-16-8-2-1-3-9-16)22-17-10-6-12-21-19(17)25-14-15-7-4-5-11-20-15/h1-12H,13-14H2,(H,22,23)
InChIKeyUDRNWWXOXGBPLC-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.79
Rot. Bonds7

About 2-phenoxy-N-[2-(pyridin-2-ylmethylsulfanyl)-3-pyridinyl]acetamide

2-phenoxy-N-[2-(pyridin-2-ylmethylsulfanyl)-3-pyridinyl]acetamide (PubChem CID 75490207) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is 2-phenoxy-N-[2-(pyridin-2-ylmethylsulfanyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-phenoxy-N-[2-(pyridin-2-ylmethylsulfanyl)-3-pyridinyl]acetamide
PubChem CID75490207
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC Name2-phenoxy-N-[2-(pyridin-2-ylmethylsulfanyl)-3-pyridinyl]acetamide
SMILESO=C(COc1ccccc1)Nc1cccnc1SCc1ccccn1
InChIInChI=1S/C19H17N3O2S/c23-18(13-24-16-8-2-1-3-9-16)22-17-10-6-12-21-19(17)25-14-15-7-4-5-11-20-15/h1-12H,13-14H2,(H,22,23)
InChIKeyUDRNWWXOXGBPLC-UHFFFAOYSA-N
XLogP3.79
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenoxy-N-[4-(pyridin-2-ylmethylamino)phenyl]acetamide
CID 112982924
2-phenoxy-N-(pyridin-2-ylmethyl)acetamide
CID 853197
2-phenoxy-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]acetamide
CID 113041994
2-phenoxy-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]acetamide
CID 113027662
N-(2-anilinophenyl)-2-phenoxyacetamide
CID 23903366
3-[[2-(4-fluorophenoxy)acetyl]amino]pyridine-2-carboxylic acid
CID 104739937
2-[2-oxo-2-(2-phenoxyanilino)ethyl]sulfanylpyridine-3-carboxylic acid
CID 45446465
N-(6-methylquinolin-8-yl)-2-phenoxyacetamide
CID 110715572
2-phenoxy-N-(2-propan-2-ylphenyl)acetamide
CID 723304
N-pyridin-2-yl-2-pyridin-3-yloxyacetamide
CID 110487862
zinc bis(2-[(2-phenoxyacetyl)amino]benzoate)
CID 67733128
N-[2-(hydrazinecarbonyl)phenyl]-2-phenoxyacetamide
CID 10613129

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[2-(pyridin-2-ylmethylsulfanyl)-3-pyridinyl]acetamide?
The IUPAC name of 2-phenoxy-N-[2-(pyridin-2-ylmethylsulfanyl)-3-pyridinyl]acetamide (CID 75490207) is 2-phenoxy-N-[2-(pyridin-2-ylmethylsulfanyl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-phenoxy-N-[2-(pyridin-2-ylmethylsulfanyl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-phenoxy-N-[2-(pyridin-2-ylmethylsulfanyl)-3-pyridinyl]acetamide is O=C(COc1ccccc1)Nc1cccnc1SCc1ccccn1.
What is the InChIKey of 2-phenoxy-N-[2-(pyridin-2-ylmethylsulfanyl)-3-pyridinyl]acetamide?
The InChIKey is UDRNWWXOXGBPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S/c23-18(13-24-16-8-2-1-3-9-16)22-17-10-6-12-21-19(17)25-14-15-7-4-5-11-20-15/h1-12H,13-14H2,(H,22,23).
What are the key properties of 2-phenoxy-N-[2-(pyridin-2-ylmethylsulfanyl)-3-pyridinyl]acetamide?
2-phenoxy-N-[2-(pyridin-2-ylmethylsulfanyl)-3-pyridinyl]acetamide has a molecular weight of 351.43 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[2-(pyridin-2-ylmethylsulfanyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 75490207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).