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

C23H19N3O4S — CID 135423574

IUPAC2-[4-hydroxy-1-(4-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-naphthalen-1-ylacetamide
SMILESCOc1ccc(-n2c(SCC(=O)Nc3cccc4ccccc34)nc(O)cc2=O)cc1
InChIInChI=1S/C23H19N3O4S/c1-30-17-11-9-16(10-12-17)26-22(29)13-20(27)25-23(26)31-14-21(28)24-19-8-4-6-15-5-2-3-7-18(15)19/h2-13,27H,14H2,1H3,(H,24,28)
InChIKeyYHZATSMJTRYMKT-UHFFFAOYSA-N
MW433.49 g/mol
LogP3.83
Rot. Bonds6

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

2-[4-hydroxy-1-(4-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-naphthalen-1-ylacetamide (PubChem CID 135423574) has the molecular formula C23H19N3O4S and a molecular weight of 433.49 g/mol. Its IUPAC name is 2-[4-hydroxy-1-(4-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-[4-hydroxy-1-(4-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-naphthalen-1-ylacetamide
PubChem CID135423574
Molecular FormulaC23H19N3O4S
Molecular Weight433.49 g/mol
Exact Mass433.11
IUPAC Name2-[4-hydroxy-1-(4-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-naphthalen-1-ylacetamide
SMILESCOc1ccc(-n2c(SCC(=O)Nc3cccc4ccccc34)nc(O)cc2=O)cc1
InChIInChI=1S/C23H19N3O4S/c1-30-17-11-9-16(10-12-17)26-22(29)13-20(27)25-23(26)31-14-21(28)24-19-8-4-6-15-5-2-3-7-18(15)19/h2-13,27H,14H2,1H3,(H,24,28)
InChIKeyYHZATSMJTRYMKT-UHFFFAOYSA-N
XLogP3.83
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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
N-[4-(acetylamino)phenyl]-2-{[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide
CID 1272945
2-((4-hydroxy-1-(4-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl)thio)-N-(4-methoxyphenyl)acetamide
CID 135412536
2-{[4-hydroxy-1-(2-methoxyphenyl)-6-oxo-1,6-dihydro-2-pyrimidinyl]thio}-N-1-naphthylacetamide
CID 135439070
2-((5-ethyl-4-hydroxy-6-oxo-1-(o-tolyl)-1,6-dihydropyrimidin-2-yl)thio)-N-(2-methoxyphenyl)acetamide
CID 135437438
2-{[5-benzyl-4-hydroxy-1-(4-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide
CID 135439000
2-({4-hydroxy-6-oxo-5-[(2E)-3-phenylprop-2-en-1-yl]-1,6-dihydropyrimidin-2-yl}sulfanyl)-N-(4-methoxyphenyl)acetamide
CID 1331156
2-{[5-benzyl-4-hydroxy-1-(4-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-chlorophenyl)acetamide
CID 135408909
2-{[5-benzyl-4-hydroxy-1-(4-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide
CID 135416113
2-{[4-hydroxy-1-(2-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(2-methylphenyl)acetamide
CID 135421754

Frequently Asked Questions

What is the IUPAC name of 2-[4-hydroxy-1-(4-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-[4-hydroxy-1-(4-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-naphthalen-1-ylacetamide (CID 135423574) is 2-[4-hydroxy-1-(4-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-[4-hydroxy-1-(4-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-[4-hydroxy-1-(4-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-naphthalen-1-ylacetamide is COc1ccc(-n2c(SCC(=O)Nc3cccc4ccccc34)nc(O)cc2=O)cc1.
What is the InChIKey of 2-[4-hydroxy-1-(4-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-naphthalen-1-ylacetamide?
The InChIKey is YHZATSMJTRYMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O4S/c1-30-17-11-9-16(10-12-17)26-22(29)13-20(27)25-23(26)31-14-21(28)24-19-8-4-6-15-5-2-3-7-18(15)19/h2-13,27H,14H2,1H3,(H,24,28).
What are the key properties of 2-[4-hydroxy-1-(4-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-naphthalen-1-ylacetamide?
2-[4-hydroxy-1-(4-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-naphthalen-1-ylacetamide has a molecular weight of 433.49 g/mol, XLogP of 3.83, 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-naphthalen-1-ylacetamide is sourced from PubChem (CID 135423574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).