2-[4-hydroxy-1-(4-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-phenylacetamide

C19H17N3O4S — CID 135485277

IUPAC2-[4-hydroxy-1-(4-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-phenylacetamide
SMILESCOc1ccc(-n2c(SCC(=O)Nc3ccccc3)nc(O)cc2=O)cc1
InChIInChI=1S/C19H17N3O4S/c1-26-15-9-7-14(8-10-15)22-18(25)11-16(23)21-19(22)27-12-17(24)20-13-5-3-2-4-6-13/h2-11,23H,12H2,1H3,(H,20,24)
InChIKeyZWHCUVNFSLBSLI-UHFFFAOYSA-N
MW383.43 g/mol
LogP2.68
Rot. Bonds6

About 2-[4-hydroxy-1-(4-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-phenylacetamide

2-[4-hydroxy-1-(4-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-phenylacetamide (PubChem CID 135485277) has the molecular formula C19H17N3O4S and a molecular weight of 383.43 g/mol. Its IUPAC name is 2-[4-hydroxy-1-(4-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-hydroxy-1-(4-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-phenylacetamide
PubChem CID135485277
Molecular FormulaC19H17N3O4S
Molecular Weight383.43 g/mol
Exact Mass383.09
IUPAC Name2-[4-hydroxy-1-(4-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-phenylacetamide
SMILESCOc1ccc(-n2c(SCC(=O)Nc3ccccc3)nc(O)cc2=O)cc1
InChIInChI=1S/C19H17N3O4S/c1-26-15-9-7-14(8-10-15)22-18(25)11-16(23)21-19(22)27-12-17(24)20-13-5-3-2-4-6-13/h2-11,23H,12H2,1H3,(H,20,24)
InChIKeyZWHCUVNFSLBSLI-UHFFFAOYSA-N
XLogP2.68
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-hydroxy-1-(4-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-phenylacetamide?
The IUPAC name of 2-[4-hydroxy-1-(4-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-phenylacetamide (CID 135485277) is 2-[4-hydroxy-1-(4-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-phenylacetamide.
What is the SMILES notation for 2-[4-hydroxy-1-(4-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-phenylacetamide?
The canonical SMILES for 2-[4-hydroxy-1-(4-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-phenylacetamide is COc1ccc(-n2c(SCC(=O)Nc3ccccc3)nc(O)cc2=O)cc1.
What is the InChIKey of 2-[4-hydroxy-1-(4-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-phenylacetamide?
The InChIKey is ZWHCUVNFSLBSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4S/c1-26-15-9-7-14(8-10-15)22-18(25)11-16(23)21-19(22)27-12-17(24)20-13-5-3-2-4-6-13/h2-11,23H,12H2,1H3,(H,20,24).
What are the key properties of 2-[4-hydroxy-1-(4-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-phenylacetamide?
2-[4-hydroxy-1-(4-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-phenylacetamide has a molecular weight of 383.43 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-hydroxy-1-(4-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-phenylacetamide is sourced from PubChem (CID 135485277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).