2-(5-ethyl-4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-phenylacetamide

C20H19N3O3S — CID 135435900

IUPAC2-(5-ethyl-4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-phenylacetamide
SMILESCCc1c(O)nc(SCC(=O)Nc2ccccc2)n(-c2ccccc2)c1=O
InChIInChI=1S/C20H19N3O3S/c1-2-16-18(25)22-20(23(19(16)26)15-11-7-4-8-12-15)27-13-17(24)21-14-9-5-3-6-10-14/h3-12,25H,2,13H2,1H3,(H,21,24)
InChIKeyUCPVGEKGWDGSFP-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.23
Rot. Bonds6

About 2-(5-ethyl-4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-phenylacetamide

2-(5-ethyl-4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-phenylacetamide (PubChem CID 135435900) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is 2-(5-ethyl-4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(5-ethyl-4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-phenylacetamide
PubChem CID135435900
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name2-(5-ethyl-4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-phenylacetamide
SMILESCCc1c(O)nc(SCC(=O)Nc2ccccc2)n(-c2ccccc2)c1=O
InChIInChI=1S/C20H19N3O3S/c1-2-16-18(25)22-20(23(19(16)26)15-11-7-4-8-12-15)27-13-17(24)21-14-9-5-3-6-10-14/h3-12,25H,2,13H2,1H3,(H,21,24)
InChIKeyUCPVGEKGWDGSFP-UHFFFAOYSA-N
XLogP3.23
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-phenylacetamide?
The IUPAC name of 2-(5-ethyl-4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-phenylacetamide (CID 135435900) is 2-(5-ethyl-4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-phenylacetamide.
What is the SMILES notation for 2-(5-ethyl-4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-phenylacetamide?
The canonical SMILES for 2-(5-ethyl-4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-phenylacetamide is CCc1c(O)nc(SCC(=O)Nc2ccccc2)n(-c2ccccc2)c1=O.
What is the InChIKey of 2-(5-ethyl-4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-phenylacetamide?
The InChIKey is UCPVGEKGWDGSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-2-16-18(25)22-20(23(19(16)26)15-11-7-4-8-12-15)27-13-17(24)21-14-9-5-3-6-10-14/h3-12,25H,2,13H2,1H3,(H,21,24).
What are the key properties of 2-(5-ethyl-4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-phenylacetamide?
2-(5-ethyl-4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-phenylacetamide has a molecular weight of 381.46 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-phenylacetamide is sourced from PubChem (CID 135435900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).