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

C15H19N3O3S — CID 91822227

IUPACN-(1-hydroxy-4-methylsulfanylbutan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESCSCCC(CO)NC(=O)Cc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C15H19N3O3S/c1-22-7-6-10(9-19)16-14(20)8-13-11-4-2-3-5-12(11)15(21)18-17-13/h2-5,10,19H,6-9H2,1H3,(H,16,20)(H,18,21)
InChIKeyNTEPURYJQFFXDL-UHFFFAOYSA-N
MW321.40 g/mol
LogP0.70
Rot. Bonds7

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

N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide (PubChem CID 91822227) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylsulfanylbutan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
PubChem CID91822227
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC NameN-(1-hydroxy-4-methylsulfanylbutan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESCSCCC(CO)NC(=O)Cc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C15H19N3O3S/c1-22-7-6-10(9-19)16-14(20)8-13-11-4-2-3-5-12(11)15(21)18-17-13/h2-5,10,19H,6-9H2,1H3,(H,16,20)(H,18,21)
InChIKeyNTEPURYJQFFXDL-UHFFFAOYSA-N
XLogP0.70
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
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2-(4-oxo-3H-phthalazin-1-yl)-N-(1-piperidin-1-ylpropan-2-yl)acetamide
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N-(2-ethylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The IUPAC name of N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide (CID 91822227) is N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide.
What is the SMILES notation for N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The canonical SMILES for N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide is CSCCC(CO)NC(=O)Cc1n[nH]c(=O)c2ccccc12.
What is the InChIKey of N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The InChIKey is NTEPURYJQFFXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-22-7-6-10(9-19)16-14(20)8-13-11-4-2-3-5-12(11)15(21)18-17-13/h2-5,10,19H,6-9H2,1H3,(H,16,20)(H,18,21).
What are the key properties of N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide has a molecular weight of 321.40 g/mol, XLogP of 0.70, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide is sourced from PubChem (CID 91822227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).