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

C20H19N3O5S — CID 135449179

IUPAC2-[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CSc1nc(O)cc(=O)n1-c1ccccc1OC
InChIInChI=1S/C20H19N3O5S/c1-27-15-9-5-3-7-13(15)21-18(25)12-29-20-22-17(24)11-19(26)23(20)14-8-4-6-10-16(14)28-2/h3-11,24H,12H2,1-2H3,(H,21,25)
InChIKeyPSLZAHOPKIXIFC-UHFFFAOYSA-N
MW413.46 g/mol
LogP2.69
Rot. Bonds7

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

2-[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide (PubChem CID 135449179) has the molecular formula C20H19N3O5S and a molecular weight of 413.46 g/mol. Its IUPAC name is 2-[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
PubChem CID135449179
Molecular FormulaC20H19N3O5S
Molecular Weight413.46 g/mol
Exact Mass413.10
IUPAC Name2-[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CSc1nc(O)cc(=O)n1-c1ccccc1OC
InChIInChI=1S/C20H19N3O5S/c1-27-15-9-5-3-7-13(15)21-18(25)12-29-20-22-17(24)11-19(26)23(20)14-8-4-6-10-16(14)28-2/h3-11,24H,12H2,1-2H3,(H,21,25)
InChIKeyPSLZAHOPKIXIFC-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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Related Compounds

3-(2-methoxyphenyl)-2-(propylthio)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
CID 2155273
[4-(Hydroxymethyl)-2-(2-methoxyanilino)-4,5-dihydro-1,3-thiazol-4-yl]methanol
CID 2732783
(2E)-N-(2-methoxyphenyl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide
CID 6172966
N-(2,5-dimethoxyphenyl)-2-[4-hydroxy-1-(2-methylpropyl)-6-oxopyrimidin-2-yl]sulfanylacetamide
CID 135543449
2-(5-Benzyl-4-hydroxy-6-oxo-1,6-dihydro-pyrimidin-2-ylsulfanyl)-N-(2-methoxy-phenyl)-acetamide
CID 1073879
3-[3-(2-methoxyanilino)-3-oxopropyl]sulfanyl-N-(2-methoxyphenyl)propanamide
CID 2166593
N-(2,4-dimethoxyphenyl)-2-{[3-(4-fluorophenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl]thio}acetamide
CID 3239306
2-{[4-hydroxy-6-(4-methoxyphenyl)pyrimidin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
CID 135419163
carbamothioic acid S-[2-(2-methoxyanilino)-2-oxoethyl] ester
CID 224935
3-(4-Methoxyphenyl)-2-(4-methoxyphenyl)imino-4-thiazolidinone
CID 1241395
2-[(4-hydroxy-2-pyrimidinyl)thio]-N-(4-phenoxyphenyl)acetamide
CID 1299166
3-(2-methoxyphenyl)-N-phenyl-1,3-thiazinan-2-imine
CID 302451

Frequently Asked Questions

What is the IUPAC name of 2-[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide (CID 135449179) is 2-[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)CSc1nc(O)cc(=O)n1-c1ccccc1OC.
What is the InChIKey of 2-[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide?
The InChIKey is PSLZAHOPKIXIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5S/c1-27-15-9-5-3-7-13(15)21-18(25)12-29-20-22-17(24)11-19(26)23(20)14-8-4-6-10-16(14)28-2/h3-11,24H,12H2,1-2H3,(H,21,25).
What are the key properties of 2-[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide?
2-[4-hydroxy-1-(2-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-(2-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 135449179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).