N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-hydroxy-5-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide

C25H21N3O3S — CID 135521570

IUPACN-(1,2-dihydroacenaphthylen-5-yl)-2-(4-hydroxy-5-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1c(O)nc(SCC(=O)Nc2ccc3c4c(cccc24)CC3)n(-c2ccccc2)c1=O
InChIInChI=1S/C25H21N3O3S/c1-15-23(30)27-25(28(24(15)31)18-7-3-2-4-8-18)32-14-21(29)26-20-13-12-17-11-10-16-6-5-9-19(20)22(16)17/h2-9,12-13,30H,10-11,14H2,1H3,(H,26,29)
InChIKeyBYDRJNYFXVGDND-UHFFFAOYSA-N
MW443.53 g/mol
LogP4.23
Rot. Bonds5

About N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-hydroxy-5-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide

N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-hydroxy-5-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 135521570) has the molecular formula C25H21N3O3S and a molecular weight of 443.53 g/mol. Its IUPAC name is N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-hydroxy-5-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1,2-dihydroacenaphthylen-5-yl)-2-(4-hydroxy-5-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide
PubChem CID135521570
Molecular FormulaC25H21N3O3S
Molecular Weight443.53 g/mol
Exact Mass443.13
IUPAC NameN-(1,2-dihydroacenaphthylen-5-yl)-2-(4-hydroxy-5-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1c(O)nc(SCC(=O)Nc2ccc3c4c(cccc24)CC3)n(-c2ccccc2)c1=O
InChIInChI=1S/C25H21N3O3S/c1-15-23(30)27-25(28(24(15)31)18-7-3-2-4-8-18)32-14-21(29)26-20-13-12-17-11-10-16-6-5-9-19(20)22(16)17/h2-9,12-13,30H,10-11,14H2,1H3,(H,26,29)
InChIKeyBYDRJNYFXVGDND-UHFFFAOYSA-N
XLogP4.23
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 54.23
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
N-(1,2-dihydro-5-acenaphthylenyl)-2-{[4-hydroxy-5-methyl-1-(4-methylphenyl)-6-oxo-1,6-dihydro-2-pyrimidinyl]thio}acetamide
CID 135401482
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
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-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-hydroxy-5-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide (CID 135521570) is N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-hydroxy-5-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-hydroxy-5-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-hydroxy-5-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide is Cc1c(O)nc(SCC(=O)Nc2ccc3c4c(cccc24)CC3)n(-c2ccccc2)c1=O.
What is the InChIKey of N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-hydroxy-5-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is BYDRJNYFXVGDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O3S/c1-15-23(30)27-25(28(24(15)31)18-7-3-2-4-8-18)32-14-21(29)26-20-13-12-17-11-10-16-6-5-9-19(20)22(16)17/h2-9,12-13,30H,10-11,14H2,1H3,(H,26,29).
What are the key properties of N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-hydroxy-5-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide?
N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-hydroxy-5-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 443.53 g/mol, XLogP of 4.23, 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-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 135521570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).