N-phenyl-2-(4-pyridin-3-ylpyrimidin-2-yl)sulfanylacetamide

C17H14N4OS — CID 2824278

IUPACN-phenyl-2-(4-pyridin-3-ylpyrimidin-2-yl)sulfanylacetamide
SMILESO=C(CSc1nccc(-c2cccnc2)n1)Nc1ccccc1
InChIInChI=1S/C17H14N4OS/c22-16(20-14-6-2-1-3-7-14)12-23-17-19-10-8-15(21-17)13-5-4-9-18-11-13/h1-11H,12H2,(H,20,22)
InChIKeyHNFYALCWFIEQCA-UHFFFAOYSA-N
MW322.39 g/mol
LogP3.27
Rot. Bonds5

About N-phenyl-2-(4-pyridin-3-ylpyrimidin-2-yl)sulfanylacetamide

N-phenyl-2-(4-pyridin-3-ylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 2824278) has the molecular formula C17H14N4OS and a molecular weight of 322.39 g/mol. Its IUPAC name is N-phenyl-2-(4-pyridin-3-ylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-phenyl-2-(4-pyridin-3-ylpyrimidin-2-yl)sulfanylacetamide
PubChem CID2824278
Molecular FormulaC17H14N4OS
Molecular Weight322.39 g/mol
Exact Mass322.09
IUPAC NameN-phenyl-2-(4-pyridin-3-ylpyrimidin-2-yl)sulfanylacetamide
SMILESO=C(CSc1nccc(-c2cccnc2)n1)Nc1ccccc1
InChIInChI=1S/C17H14N4OS/c22-16(20-14-6-2-1-3-7-14)12-23-17-19-10-8-15(21-17)13-5-4-9-18-11-13/h1-11H,12H2,(H,20,22)
InChIKeyHNFYALCWFIEQCA-UHFFFAOYSA-N
XLogP3.27
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-(4-pyridin-3-ylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-phenyl-2-(4-pyridin-3-ylpyrimidin-2-yl)sulfanylacetamide (CID 2824278) is N-phenyl-2-(4-pyridin-3-ylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-phenyl-2-(4-pyridin-3-ylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-phenyl-2-(4-pyridin-3-ylpyrimidin-2-yl)sulfanylacetamide is O=C(CSc1nccc(-c2cccnc2)n1)Nc1ccccc1.
What is the InChIKey of N-phenyl-2-(4-pyridin-3-ylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is HNFYALCWFIEQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4OS/c22-16(20-14-6-2-1-3-7-14)12-23-17-19-10-8-15(21-17)13-5-4-9-18-11-13/h1-11H,12H2,(H,20,22).
What are the key properties of N-phenyl-2-(4-pyridin-3-ylpyrimidin-2-yl)sulfanylacetamide?
N-phenyl-2-(4-pyridin-3-ylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 322.39 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-(4-pyridin-3-ylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 2824278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).