2-[5-ethyl-4-hydroxy-1-(2-methylphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide

C22H23N3O4S — CID 135437438

IUPAC2-[5-ethyl-4-hydroxy-1-(2-methylphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
SMILESCCc1c(O)nc(SCC(=O)Nc2ccccc2OC)n(-c2ccccc2C)c1=O
InChIInChI=1S/C22H23N3O4S/c1-4-15-20(27)24-22(25(21(15)28)17-11-7-5-9-14(17)2)30-13-19(26)23-16-10-6-8-12-18(16)29-3/h5-12,27H,4,13H2,1-3H3,(H,23,26)
InChIKeyUCLKOBMLOWMIHY-UHFFFAOYSA-N
MW425.51 g/mol
LogP3.55
Rot. Bonds7

About 2-[5-ethyl-4-hydroxy-1-(2-methylphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide

2-[5-ethyl-4-hydroxy-1-(2-methylphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide (PubChem CID 135437438) has the molecular formula C22H23N3O4S and a molecular weight of 425.51 g/mol. Its IUPAC name is 2-[5-ethyl-4-hydroxy-1-(2-methylphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[5-ethyl-4-hydroxy-1-(2-methylphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
PubChem CID135437438
Molecular FormulaC22H23N3O4S
Molecular Weight425.51 g/mol
Exact Mass425.14
IUPAC Name2-[5-ethyl-4-hydroxy-1-(2-methylphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
SMILESCCc1c(O)nc(SCC(=O)Nc2ccccc2OC)n(-c2ccccc2C)c1=O
InChIInChI=1S/C22H23N3O4S/c1-4-15-20(27)24-22(25(21(15)28)17-11-7-5-9-14(17)2)30-13-19(26)23-16-10-6-8-12-18(16)29-3/h5-12,27H,4,13H2,1-3H3,(H,23,26)
InChIKeyUCLKOBMLOWMIHY-UHFFFAOYSA-N
XLogP3.55
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[5-ethyl-4-hydroxy-1-(2-methylphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide with MolForge

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Related Compounds

(5Z)-5-(4-methoxybenzylidene)-3-(2-methoxyphenyl)-2-(methylthio)-3,5-dihydro-4H-imidazol-4-one
CID 16193804
2-(5-Benzyl-4-hydroxy-6-oxo-1,6-dihydro-pyrimidin-2-ylsulfanyl)-N-(2-methoxy-phenyl)-acetamide
CID 1073879
2-{[5-butyl-1-(3,4-dimethylphenyl)-6-hydroxy-4-oxo-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
CID 135398989
2-{[4-hydroxy-6-(4-methoxyphenyl)pyrimidin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
CID 135419163
2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 1073972
3-(2-Methoxyphenyl)-2-propylsulfanylquinazolin-4-one
CID 1967844
N-(4-fluorophenyl)-2-((3-(2-methoxyphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide
CID 2155253
N-cyclopropyl-2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2595322
N-cyclopropyl-2-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2609829
ethyl 4-[2-({2-[(2-methoxyphenyl)amino]-2-oxoethyl}thio)-4-oxo-3(4H)-quinazolinyl]-1-piperidinecarboxylate
CID 2937784
2-({2-[2-(butylamino)-2-oxoethyl]-3-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl}thio)-N-(2-methoxyphenyl)acetamide
CID 3236396
2-({3-[2-(acetylamino)ethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}thio)-N-(2-methoxyphenyl)acetamide
CID 3239034

Frequently Asked Questions

What is the IUPAC name of 2-[5-ethyl-4-hydroxy-1-(2-methylphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[5-ethyl-4-hydroxy-1-(2-methylphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide (CID 135437438) is 2-[5-ethyl-4-hydroxy-1-(2-methylphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[5-ethyl-4-hydroxy-1-(2-methylphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[5-ethyl-4-hydroxy-1-(2-methylphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide is CCc1c(O)nc(SCC(=O)Nc2ccccc2OC)n(-c2ccccc2C)c1=O.
What is the InChIKey of 2-[5-ethyl-4-hydroxy-1-(2-methylphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide?
The InChIKey is UCLKOBMLOWMIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S/c1-4-15-20(27)24-22(25(21(15)28)17-11-7-5-9-14(17)2)30-13-19(26)23-16-10-6-8-12-18(16)29-3/h5-12,27H,4,13H2,1-3H3,(H,23,26).
What are the key properties of 2-[5-ethyl-4-hydroxy-1-(2-methylphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide?
2-[5-ethyl-4-hydroxy-1-(2-methylphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide has a molecular weight of 425.51 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-ethyl-4-hydroxy-1-(2-methylphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 135437438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).