N-benzyl-2-phthalazin-1-ylsulfanylacetamide

C17H15N3OS — CID 6415882

IUPACN-benzyl-2-phthalazin-1-ylsulfanylacetamide
SMILESO=C(CSc1nncc2ccccc12)NCc1ccccc1
InChIInChI=1S/C17H15N3OS/c21-16(18-10-13-6-2-1-3-7-13)12-22-17-15-9-5-4-8-14(15)11-19-20-17/h1-9,11H,10,12H2,(H,18,21)
InChIKeyXFNXJAFSDJVJGY-UHFFFAOYSA-N
MW309.39 g/mol
LogP3.04
Rot. Bonds5

About N-benzyl-2-phthalazin-1-ylsulfanylacetamide

N-benzyl-2-phthalazin-1-ylsulfanylacetamide (PubChem CID 6415882) has the molecular formula C17H15N3OS and a molecular weight of 309.39 g/mol. Its IUPAC name is N-benzyl-2-phthalazin-1-ylsulfanylacetamide.

Molecular Properties

Compound NameN-benzyl-2-phthalazin-1-ylsulfanylacetamide
PubChem CID6415882
Molecular FormulaC17H15N3OS
Molecular Weight309.39 g/mol
Exact Mass309.09
IUPAC NameN-benzyl-2-phthalazin-1-ylsulfanylacetamide
SMILESO=C(CSc1nncc2ccccc12)NCc1ccccc1
InChIInChI=1S/C17H15N3OS/c21-16(18-10-13-6-2-1-3-7-13)12-22-17-15-9-5-4-8-14(15)11-19-20-17/h1-9,11H,10,12H2,(H,18,21)
InChIKeyXFNXJAFSDJVJGY-UHFFFAOYSA-N
XLogP3.04
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpropyl)-2-phthalazin-1-ylsulfanylacetamide
CID 47154239
N-[(2R)-2-hydroxypropyl]-2-phthalazin-1-ylsulfanylacetamide
CID 40543272
N-butyl-2-phthalazin-1-ylsulfanylacetamide
CID 47154236
N-[(1S)-1-phenylethyl]-2-phthalazin-1-ylsulfanylacetamide
CID 42427689
N-[3-(dimethylamino)propyl]-2-phthalazin-1-ylsulfanylacetamide
CID 6411504
N-cyclopentyl-2-phthalazin-1-ylsulfanylacetamide
CID 47148421
N-benzyl-2-(4-methylphthalazin-1-yl)sulfanylacetamide
CID 6401253
N-(3,4-dichlorophenyl)-2-phthalazin-1-ylsulfanylacetamide
CID 134025550
N-benzyl-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 135445462
N-(2-chloro-4-methylphenyl)-2-phthalazin-1-ylsulfanylacetamide
CID 134025528
N-(2-methyl-6-propan-2-ylphenyl)-2-phthalazin-1-ylsulfanylacetamide
CID 134025531
2-phthalazin-1-ylsulfanyl-N-[2-(trifluoromethyl)cyclohexyl]acetamide
CID 71898581

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-phthalazin-1-ylsulfanylacetamide?
The IUPAC name of N-benzyl-2-phthalazin-1-ylsulfanylacetamide (CID 6415882) is N-benzyl-2-phthalazin-1-ylsulfanylacetamide.
What is the SMILES notation for N-benzyl-2-phthalazin-1-ylsulfanylacetamide?
The canonical SMILES for N-benzyl-2-phthalazin-1-ylsulfanylacetamide is O=C(CSc1nncc2ccccc12)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-phthalazin-1-ylsulfanylacetamide?
The InChIKey is XFNXJAFSDJVJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS/c21-16(18-10-13-6-2-1-3-7-13)12-22-17-15-9-5-4-8-14(15)11-19-20-17/h1-9,11H,10,12H2,(H,18,21).
What are the key properties of N-benzyl-2-phthalazin-1-ylsulfanylacetamide?
N-benzyl-2-phthalazin-1-ylsulfanylacetamide has a molecular weight of 309.39 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-phthalazin-1-ylsulfanylacetamide is sourced from PubChem (CID 6415882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).