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

C24H19N3O3S — CID 135401379

IUPACN-(1,2-dihydroacenaphthylen-5-yl)-2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide
SMILESO=C(CSc1nc(O)cc(=O)n1-c1ccccc1)Nc1ccc2c3c(cccc13)CC2
InChIInChI=1S/C24H19N3O3S/c28-20-13-22(30)27(17-6-2-1-3-7-17)24(26-20)31-14-21(29)25-19-12-11-16-10-9-15-5-4-8-18(19)23(15)16/h1-8,11-13,28H,9-10,14H2,(H,25,29)
InChIKeyXZTXMJVEJICLMC-UHFFFAOYSA-N
MW429.50 g/mol
LogP3.92
Rot. Bonds5

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

N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 135401379) has the molecular formula C24H19N3O3S and a molecular weight of 429.50 g/mol. Its IUPAC name is N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1,2-dihydroacenaphthylen-5-yl)-2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide
PubChem CID135401379
Molecular FormulaC24H19N3O3S
Molecular Weight429.50 g/mol
Exact Mass429.11
IUPAC NameN-(1,2-dihydroacenaphthylen-5-yl)-2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide
SMILESO=C(CSc1nc(O)cc(=O)n1-c1ccccc1)Nc1ccc2c3c(cccc13)CC2
InChIInChI=1S/C24H19N3O3S/c28-20-13-22(30)27(17-6-2-1-3-7-17)24(26-20)31-14-21(29)25-19-12-11-16-10-9-15-5-4-8-18(19)23(15)16/h1-8,11-13,28H,9-10,14H2,(H,25,29)
InChIKeyXZTXMJVEJICLMC-UHFFFAOYSA-N
XLogP3.92
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 53.92
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-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 135519911
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-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
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

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide (CID 135401379) is N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide is O=C(CSc1nc(O)cc(=O)n1-c1ccccc1)Nc1ccc2c3c(cccc13)CC2.
What is the InChIKey of N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is XZTXMJVEJICLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O3S/c28-20-13-22(30)27(17-6-2-1-3-7-17)24(26-20)31-14-21(29)25-19-12-11-16-10-9-15-5-4-8-18(19)23(15)16/h1-8,11-13,28H,9-10,14H2,(H,25,29).
What are the key properties of N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide?
N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 429.50 g/mol, XLogP of 3.92, 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-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 135401379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).