N-(4-propan-2-ylphenyl)-2-(4-pyridin-3-ylpyrimidin-2-yl)sulfanylacetamide

C20H20N4OS — CID 2824279

IUPACN-(4-propan-2-ylphenyl)-2-(4-pyridin-3-ylpyrimidin-2-yl)sulfanylacetamide
SMILESCC(C)c1ccc(NC(=O)CSc2nccc(-c3cccnc3)n2)cc1
InChIInChI=1S/C20H20N4OS/c1-14(2)15-5-7-17(8-6-15)23-19(25)13-26-20-22-11-9-18(24-20)16-4-3-10-21-12-16/h3-12,14H,13H2,1-2H3,(H,23,25)
InChIKeyXAULNCZIFLYSHN-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.39
Rot. Bonds6

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

N-(4-propan-2-ylphenyl)-2-(4-pyridin-3-ylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 2824279) has the molecular formula C20H20N4OS and a molecular weight of 364.47 g/mol. Its IUPAC name is N-(4-propan-2-ylphenyl)-2-(4-pyridin-3-ylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-propan-2-ylphenyl)-2-(4-pyridin-3-ylpyrimidin-2-yl)sulfanylacetamide
PubChem CID2824279
Molecular FormulaC20H20N4OS
Molecular Weight364.47 g/mol
Exact Mass364.14
IUPAC NameN-(4-propan-2-ylphenyl)-2-(4-pyridin-3-ylpyrimidin-2-yl)sulfanylacetamide
SMILESCC(C)c1ccc(NC(=O)CSc2nccc(-c3cccnc3)n2)cc1
InChIInChI=1S/C20H20N4OS/c1-14(2)15-5-7-17(8-6-15)23-19(25)13-26-20-22-11-9-18(24-20)16-4-3-10-21-12-16/h3-12,14H,13H2,1-2H3,(H,23,25)
InChIKeyXAULNCZIFLYSHN-UHFFFAOYSA-N
XLogP4.39
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-ylphenyl)-2-(4-pyridin-3-ylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-(4-propan-2-ylphenyl)-2-(4-pyridin-3-ylpyrimidin-2-yl)sulfanylacetamide (CID 2824279) is N-(4-propan-2-ylphenyl)-2-(4-pyridin-3-ylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-propan-2-ylphenyl)-2-(4-pyridin-3-ylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(4-propan-2-ylphenyl)-2-(4-pyridin-3-ylpyrimidin-2-yl)sulfanylacetamide is CC(C)c1ccc(NC(=O)CSc2nccc(-c3cccnc3)n2)cc1.
What is the InChIKey of N-(4-propan-2-ylphenyl)-2-(4-pyridin-3-ylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is XAULNCZIFLYSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4OS/c1-14(2)15-5-7-17(8-6-15)23-19(25)13-26-20-22-11-9-18(24-20)16-4-3-10-21-12-16/h3-12,14H,13H2,1-2H3,(H,23,25).
What are the key properties of N-(4-propan-2-ylphenyl)-2-(4-pyridin-3-ylpyrimidin-2-yl)sulfanylacetamide?
N-(4-propan-2-ylphenyl)-2-(4-pyridin-3-ylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 364.47 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-ylphenyl)-2-(4-pyridin-3-ylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 2824279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).