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

C20H19N3O5S — CID 135442412

IUPAC2-[4-hydroxy-1-(4-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccc(-n2c(SCC(=O)Nc3ccccc3OC)nc(O)cc2=O)cc1
InChIInChI=1S/C20H19N3O5S/c1-27-14-9-7-13(8-10-14)23-19(26)11-17(24)22-20(23)29-12-18(25)21-15-5-3-4-6-16(15)28-2/h3-11,24H,12H2,1-2H3,(H,21,25)
InChIKeyVUJCWMPWKZEKFM-UHFFFAOYSA-N
MW413.46 g/mol
LogP2.69
Rot. Bonds7

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

2-[4-hydroxy-1-(4-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide (PubChem CID 135442412) has the molecular formula C20H19N3O5S and a molecular weight of 413.46 g/mol. Its IUPAC name is 2-[4-hydroxy-1-(4-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-hydroxy-1-(4-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
PubChem CID135442412
Molecular FormulaC20H19N3O5S
Molecular Weight413.46 g/mol
Exact Mass413.10
IUPAC Name2-[4-hydroxy-1-(4-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccc(-n2c(SCC(=O)Nc3ccccc3OC)nc(O)cc2=O)cc1
InChIInChI=1S/C20H19N3O5S/c1-27-14-9-7-13(8-10-14)23-19(26)11-17(24)22-20(23)29-12-18(25)21-15-5-3-4-6-16(15)28-2/h3-11,24H,12H2,1-2H3,(H,21,25)
InChIKeyVUJCWMPWKZEKFM-UHFFFAOYSA-N
XLogP2.69
TPSA102.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[4-hydroxy-1-(4-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide (CID 135442412) is 2-[4-hydroxy-1-(4-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-hydroxy-1-(4-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[4-hydroxy-1-(4-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide is COc1ccc(-n2c(SCC(=O)Nc3ccccc3OC)nc(O)cc2=O)cc1.
What is the InChIKey of 2-[4-hydroxy-1-(4-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide?
The InChIKey is VUJCWMPWKZEKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5S/c1-27-14-9-7-13(8-10-14)23-19(26)11-17(24)22-20(23)29-12-18(25)21-15-5-3-4-6-16(15)28-2/h3-11,24H,12H2,1-2H3,(H,21,25).
What are the key properties of 2-[4-hydroxy-1-(4-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide?
2-[4-hydroxy-1-(4-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide has a molecular weight of 413.46 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-hydroxy-1-(4-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 135442412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).