2-phenyl-N-(2-pyrimidin-2-ylsulfanylacetyl)acetamide

C14H13N3O2S — CID 25162212

IUPAC2-phenyl-N-(2-pyrimidin-2-ylsulfanylacetyl)acetamide
SMILESO=C(CSc1ncccn1)NC(=O)Cc1ccccc1
InChIInChI=1S/C14H13N3O2S/c18-12(9-11-5-2-1-3-6-11)17-13(19)10-20-14-15-7-4-8-16-14/h1-8H,9-10H2,(H,17,18,19)
InChIKeyWXLXVKORPYFVBZ-UHFFFAOYSA-N
MW287.34 g/mol
LogP1.45
Rot. Bonds5

About 2-phenyl-N-(2-pyrimidin-2-ylsulfanylacetyl)acetamide

2-phenyl-N-(2-pyrimidin-2-ylsulfanylacetyl)acetamide (PubChem CID 25162212) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-phenyl-N-(2-pyrimidin-2-ylsulfanylacetyl)acetamide.

Molecular Properties

Compound Name2-phenyl-N-(2-pyrimidin-2-ylsulfanylacetyl)acetamide
PubChem CID25162212
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name2-phenyl-N-(2-pyrimidin-2-ylsulfanylacetyl)acetamide
SMILESO=C(CSc1ncccn1)NC(=O)Cc1ccccc1
InChIInChI=1S/C14H13N3O2S/c18-12(9-11-5-2-1-3-6-11)17-13(19)10-20-14-15-7-4-8-16-14/h1-8H,9-10H2,(H,17,18,19)
InChIKeyWXLXVKORPYFVBZ-UHFFFAOYSA-N
XLogP1.45
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(2-pyrimidin-2-ylsulfanylacetyl)acetamide?
The IUPAC name of 2-phenyl-N-(2-pyrimidin-2-ylsulfanylacetyl)acetamide (CID 25162212) is 2-phenyl-N-(2-pyrimidin-2-ylsulfanylacetyl)acetamide.
What is the SMILES notation for 2-phenyl-N-(2-pyrimidin-2-ylsulfanylacetyl)acetamide?
The canonical SMILES for 2-phenyl-N-(2-pyrimidin-2-ylsulfanylacetyl)acetamide is O=C(CSc1ncccn1)NC(=O)Cc1ccccc1.
What is the InChIKey of 2-phenyl-N-(2-pyrimidin-2-ylsulfanylacetyl)acetamide?
The InChIKey is WXLXVKORPYFVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c18-12(9-11-5-2-1-3-6-11)17-13(19)10-20-14-15-7-4-8-16-14/h1-8H,9-10H2,(H,17,18,19).
What are the key properties of 2-phenyl-N-(2-pyrimidin-2-ylsulfanylacetyl)acetamide?
2-phenyl-N-(2-pyrimidin-2-ylsulfanylacetyl)acetamide has a molecular weight of 287.34 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(2-pyrimidin-2-ylsulfanylacetyl)acetamide is sourced from PubChem (CID 25162212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).