N-(4-hydroxyphenyl)-2-(4-methylphthalazin-1-yl)sulfanylacetamide

C17H15N3O2S — CID 5291265

IUPACN-(4-hydroxyphenyl)-2-(4-methylphthalazin-1-yl)sulfanylacetamide
SMILESCc1nnc(SCC(=O)Nc2ccc(O)cc2)c2ccccc12
InChIInChI=1S/C17H15N3O2S/c1-11-14-4-2-3-5-15(14)17(20-19-11)23-10-16(22)18-12-6-8-13(21)9-7-12/h2-9,21H,10H2,1H3,(H,18,22)
InChIKeyNQTBLYOBRQWZLW-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.37
Rot. Bonds4

About N-(4-hydroxyphenyl)-2-(4-methylphthalazin-1-yl)sulfanylacetamide

N-(4-hydroxyphenyl)-2-(4-methylphthalazin-1-yl)sulfanylacetamide (PubChem CID 5291265) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-2-(4-methylphthalazin-1-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-2-(4-methylphthalazin-1-yl)sulfanylacetamide
PubChem CID5291265
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC NameN-(4-hydroxyphenyl)-2-(4-methylphthalazin-1-yl)sulfanylacetamide
SMILESCc1nnc(SCC(=O)Nc2ccc(O)cc2)c2ccccc12
InChIInChI=1S/C17H15N3O2S/c1-11-14-4-2-3-5-15(14)17(20-19-11)23-10-16(22)18-12-6-8-13(21)9-7-12/h2-9,21H,10H2,1H3,(H,18,22)
InChIKeyNQTBLYOBRQWZLW-UHFFFAOYSA-N
XLogP3.37
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2-(4-methylphthalazin-1-yl)sulfanylacetamide
CID 6401253
N-(2,4-dimethylphenyl)-2-(4-methylphthalazin-1-yl)sulfanylacetamide
CID 6401674
methyl 2-[4-(2-anilino-2-oxoethyl)sulfanylphthalazin-1-yl]acetate
CID 6407158
N-(3,5-dimethylphenyl)-2-(4-phenylphthalazin-1-yl)sulfanylacetamide
CID 7580579
2-[4-(3,5-dimethylpyrazol-1-yl)phthalazin-1-yl]sulfanyl-N-(4-fluorophenyl)acetamide
CID 3226598
2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(4-hydroxyphenyl)acetamide
CID 2017589
N-(4-methoxyphenyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
CID 3361602
2-(2-aminophenyl)sulfanyl-N-(4-hydroxyphenyl)acetamide
CID 3482565
2-[4-(4-ethoxyphenyl)phthalazin-1-yl]sulfanyl-N-phenylacetamide
CID 2939528
2-(2-methylquinazolin-4-yl)sulfanyl-N-(4-phenyldiazenylphenyl)acetamide
CID 7210077
N-(4-hydroxyphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
CID 176729757
4-[(2-quinazolin-4-ylsulfanylacetyl)amino]benzamide
CID 2409976

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-2-(4-methylphthalazin-1-yl)sulfanylacetamide?
The IUPAC name of N-(4-hydroxyphenyl)-2-(4-methylphthalazin-1-yl)sulfanylacetamide (CID 5291265) is N-(4-hydroxyphenyl)-2-(4-methylphthalazin-1-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-2-(4-methylphthalazin-1-yl)sulfanylacetamide?
The canonical SMILES for N-(4-hydroxyphenyl)-2-(4-methylphthalazin-1-yl)sulfanylacetamide is Cc1nnc(SCC(=O)Nc2ccc(O)cc2)c2ccccc12.
What is the InChIKey of N-(4-hydroxyphenyl)-2-(4-methylphthalazin-1-yl)sulfanylacetamide?
The InChIKey is NQTBLYOBRQWZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-11-14-4-2-3-5-15(14)17(20-19-11)23-10-16(22)18-12-6-8-13(21)9-7-12/h2-9,21H,10H2,1H3,(H,18,22).
What are the key properties of N-(4-hydroxyphenyl)-2-(4-methylphthalazin-1-yl)sulfanylacetamide?
N-(4-hydroxyphenyl)-2-(4-methylphthalazin-1-yl)sulfanylacetamide has a molecular weight of 325.39 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-2-(4-methylphthalazin-1-yl)sulfanylacetamide is sourced from PubChem (CID 5291265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).