N-(3-methylsulfanylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide

C17H15N3O2S — CID 4802653

IUPACN-(3-methylsulfanylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESCSc1cccc(NC(=O)Cc2n[nH]c(=O)c3ccccc23)c1
InChIInChI=1S/C17H15N3O2S/c1-23-12-6-4-5-11(9-12)18-16(21)10-15-13-7-2-3-8-14(13)17(22)20-19-15/h2-9H,10H2,1H3,(H,18,21)(H,20,22)
InChIKeyALWZOJTZOXDWMJ-UHFFFAOYSA-N
MW325.39 g/mol
LogP2.83
Rot. Bonds4

About N-(3-methylsulfanylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide

N-(3-methylsulfanylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide (PubChem CID 4802653) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is N-(3-methylsulfanylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-methylsulfanylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
PubChem CID4802653
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC NameN-(3-methylsulfanylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESCSc1cccc(NC(=O)Cc2n[nH]c(=O)c3ccccc23)c1
InChIInChI=1S/C17H15N3O2S/c1-23-12-6-4-5-11(9-12)18-16(21)10-15-13-7-2-3-8-14(13)17(22)20-19-15/h2-9H,10H2,1H3,(H,18,21)(H,20,22)
InChIKeyALWZOJTZOXDWMJ-UHFFFAOYSA-N
XLogP2.83
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-methylsulfanylanilino)-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate
CID 7530782
2-(4-oxo-3H-phthalazin-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 46423982
N-(3-methylsulfanylphenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499506
methyl 2-chloro-4-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]benzoate
CID 167776226
N-naphthalen-1-yl-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 17403437
N-(3-acetamido-4-methoxyphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 24668281
N-(2-ethylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 8839355
N-(4-cyanophenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 26703210
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 4833881
N-(3-methylsulfanylphenyl)-2-sulfanylacetamide
CID 54336720
(2-anilino-2-oxoethyl) 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 7789870
2-(4-oxo-3H-phthalazin-1-yl)-N-(5-phenyl-1H-pyrazol-3-yl)acetamide
CID 166198338

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The IUPAC name of N-(3-methylsulfanylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide (CID 4802653) is N-(3-methylsulfanylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide.
What is the SMILES notation for N-(3-methylsulfanylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The canonical SMILES for N-(3-methylsulfanylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide is CSc1cccc(NC(=O)Cc2n[nH]c(=O)c3ccccc23)c1.
What is the InChIKey of N-(3-methylsulfanylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The InChIKey is ALWZOJTZOXDWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-23-12-6-4-5-11(9-12)18-16(21)10-15-13-7-2-3-8-14(13)17(22)20-19-15/h2-9H,10H2,1H3,(H,18,21)(H,20,22).
What are the key properties of N-(3-methylsulfanylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
N-(3-methylsulfanylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide has a molecular weight of 325.39 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide is sourced from PubChem (CID 4802653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).