N-(1,2-dihydroacenaphthylen-5-yl)-2-[4-hydroxy-5-methyl-1-(4-methylphenyl)-6-oxopyrimidin-2-yl]sulfanylacetamide

C26H23N3O3S — CID 135401482

IUPACN-(1,2-dihydroacenaphthylen-5-yl)-2-[4-hydroxy-5-methyl-1-(4-methylphenyl)-6-oxopyrimidin-2-yl]sulfanylacetamide
SMILESCc1ccc(-n2c(SCC(=O)Nc3ccc4c5c(cccc35)CC4)nc(O)c(C)c2=O)cc1
InChIInChI=1S/C26H23N3O3S/c1-15-6-11-19(12-7-15)29-25(32)16(2)24(31)28-26(29)33-14-22(30)27-21-13-10-18-9-8-17-4-3-5-20(21)23(17)18/h3-7,10-13,31H,8-9,14H2,1-2H3,(H,27,30)
InChIKeyGKBYAPSERXSPHK-UHFFFAOYSA-N
MW457.56 g/mol
LogP4.54
Rot. Bonds5

About N-(1,2-dihydroacenaphthylen-5-yl)-2-[4-hydroxy-5-methyl-1-(4-methylphenyl)-6-oxopyrimidin-2-yl]sulfanylacetamide

N-(1,2-dihydroacenaphthylen-5-yl)-2-[4-hydroxy-5-methyl-1-(4-methylphenyl)-6-oxopyrimidin-2-yl]sulfanylacetamide (PubChem CID 135401482) has the molecular formula C26H23N3O3S and a molecular weight of 457.56 g/mol. Its IUPAC name is N-(1,2-dihydroacenaphthylen-5-yl)-2-[4-hydroxy-5-methyl-1-(4-methylphenyl)-6-oxopyrimidin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(1,2-dihydroacenaphthylen-5-yl)-2-[4-hydroxy-5-methyl-1-(4-methylphenyl)-6-oxopyrimidin-2-yl]sulfanylacetamide
PubChem CID135401482
Molecular FormulaC26H23N3O3S
Molecular Weight457.56 g/mol
Exact Mass457.15
IUPAC NameN-(1,2-dihydroacenaphthylen-5-yl)-2-[4-hydroxy-5-methyl-1-(4-methylphenyl)-6-oxopyrimidin-2-yl]sulfanylacetamide
SMILESCc1ccc(-n2c(SCC(=O)Nc3ccc4c5c(cccc35)CC4)nc(O)c(C)c2=O)cc1
InChIInChI=1S/C26H23N3O3S/c1-15-6-11-19(12-7-15)29-25(32)16(2)24(31)28-26(29)33-14-22(30)27-21-13-10-18-9-8-17-4-3-5-20(21)23(17)18/h3-7,10-13,31H,8-9,14H2,1-2H3,(H,27,30)
InChIKeyGKBYAPSERXSPHK-UHFFFAOYSA-N
XLogP4.54
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.56
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydro-1H-inden-5-yl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
CID 2557019
2-(4-Methoxy-6-oxo-1,6-dihydro-pyrimidin-2-ylsulfanyl)-N-naphthalen-1-yl-propionamide
CID 6501406
2-(4-Methoxy-6-oxo-1,6-dihydro-pyrimidin-2-ylsulfanyl)-N-naphthalen-2-yl-propionamide
CID 6501425
2-[(4-hydroxy-6-propylpyrimidin-2-yl)sulfanyl]-N-(naphthalen-1-yl)acetamide
CID 135479063
2-(4-Hydroxy-5-isobutyl-6-oxo-1,6-dihydro-pyrimidin-2-ylsulfanyl)-N-indan-5-yl-acetamide
CID 1073941
N-(1,2-dihydro-5-acenaphthylenyl)-2-[(4-hydroxy-6-oxo-1-phenyl-1,6-dihydro-2-pyrimidinyl)sulfanyl]acetamide
CID 135401379
2-{[4-hydroxy-1-(2-methylphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide
CID 135439312
N-(1,2-dihydro-5-acenaphthylenyl)-2-{[1-(4-fluorophenyl)-4-hydroxy-5-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl]sulfanyl}acetamide
CID 135467350
N-(2,6-Dimethyl-phenyl)-2-(4-hydroxy-6-oxo-1-o-tolyl-1,6-dihydro-pyrimidin-2-ylsulfanyl)-acetamide
CID 135478228
N-(1,2-dihydro-5-acenaphthylenyl)-2-[(4-hydroxy-5-methyl-6-oxo-1-phenyl-1,6-dihydro-2-pyrimidinyl)sulfanyl]acetamide
CID 135521570
2-[(4-hydroxy-6-propylpyrimidin-2-yl)sulfanyl]-N-(naphthalen-2-yl)acetamide
CID 135414726
2-(4-Ethyl-6-hydroxy-5-methyl-pyrimidin-2-ylsulfanyl)-N-naphthalen-1-yl-acetamide
CID 135429245

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dihydroacenaphthylen-5-yl)-2-[4-hydroxy-5-methyl-1-(4-methylphenyl)-6-oxopyrimidin-2-yl]sulfanylacetamide?
The IUPAC name of N-(1,2-dihydroacenaphthylen-5-yl)-2-[4-hydroxy-5-methyl-1-(4-methylphenyl)-6-oxopyrimidin-2-yl]sulfanylacetamide (CID 135401482) is N-(1,2-dihydroacenaphthylen-5-yl)-2-[4-hydroxy-5-methyl-1-(4-methylphenyl)-6-oxopyrimidin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(1,2-dihydroacenaphthylen-5-yl)-2-[4-hydroxy-5-methyl-1-(4-methylphenyl)-6-oxopyrimidin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(1,2-dihydroacenaphthylen-5-yl)-2-[4-hydroxy-5-methyl-1-(4-methylphenyl)-6-oxopyrimidin-2-yl]sulfanylacetamide is Cc1ccc(-n2c(SCC(=O)Nc3ccc4c5c(cccc35)CC4)nc(O)c(C)c2=O)cc1.
What is the InChIKey of N-(1,2-dihydroacenaphthylen-5-yl)-2-[4-hydroxy-5-methyl-1-(4-methylphenyl)-6-oxopyrimidin-2-yl]sulfanylacetamide?
The InChIKey is GKBYAPSERXSPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3S/c1-15-6-11-19(12-7-15)29-25(32)16(2)24(31)28-26(29)33-14-22(30)27-21-13-10-18-9-8-17-4-3-5-20(21)23(17)18/h3-7,10-13,31H,8-9,14H2,1-2H3,(H,27,30).
What are the key properties of N-(1,2-dihydroacenaphthylen-5-yl)-2-[4-hydroxy-5-methyl-1-(4-methylphenyl)-6-oxopyrimidin-2-yl]sulfanylacetamide?
N-(1,2-dihydroacenaphthylen-5-yl)-2-[4-hydroxy-5-methyl-1-(4-methylphenyl)-6-oxopyrimidin-2-yl]sulfanylacetamide has a molecular weight of 457.56 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dihydroacenaphthylen-5-yl)-2-[4-hydroxy-5-methyl-1-(4-methylphenyl)-6-oxopyrimidin-2-yl]sulfanylacetamide is sourced from PubChem (CID 135401482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).