N-(2,5-dimethoxyphenyl)-2-phthalazin-1-ylsulfanylacetamide

C18H17N3O3S — CID 2957944

IUPACN-(2,5-dimethoxyphenyl)-2-phthalazin-1-ylsulfanylacetamide
SMILESCOc1ccc(OC)c(NC(=O)CSc2nncc3ccccc23)c1
InChIInChI=1S/C18H17N3O3S/c1-23-13-7-8-16(24-2)15(9-13)20-17(22)11-25-18-14-6-4-3-5-12(14)10-19-21-18/h3-10H,11H2,1-2H3,(H,20,22)
InChIKeyGZOXIVTZTBROHJ-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.38
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-2-phthalazin-1-ylsulfanylacetamide

N-(2,5-dimethoxyphenyl)-2-phthalazin-1-ylsulfanylacetamide (PubChem CID 2957944) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-phthalazin-1-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-phthalazin-1-ylsulfanylacetamide
PubChem CID2957944
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC NameN-(2,5-dimethoxyphenyl)-2-phthalazin-1-ylsulfanylacetamide
SMILESCOc1ccc(OC)c(NC(=O)CSc2nncc3ccccc23)c1
InChIInChI=1S/C18H17N3O3S/c1-23-13-7-8-16(24-2)15(9-13)20-17(22)11-25-18-14-6-4-3-5-12(14)10-19-21-18/h3-10H,11H2,1-2H3,(H,20,22)
InChIKeyGZOXIVTZTBROHJ-UHFFFAOYSA-N
XLogP3.38
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-phthalazin-1-ylsulfanylacetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-phthalazin-1-ylsulfanylacetamide (CID 2957944) is N-(2,5-dimethoxyphenyl)-2-phthalazin-1-ylsulfanylacetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-phthalazin-1-ylsulfanylacetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-phthalazin-1-ylsulfanylacetamide is COc1ccc(OC)c(NC(=O)CSc2nncc3ccccc23)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-phthalazin-1-ylsulfanylacetamide?
The InChIKey is GZOXIVTZTBROHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-23-13-7-8-16(24-2)15(9-13)20-17(22)11-25-18-14-6-4-3-5-12(14)10-19-21-18/h3-10H,11H2,1-2H3,(H,20,22).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-phthalazin-1-ylsulfanylacetamide?
N-(2,5-dimethoxyphenyl)-2-phthalazin-1-ylsulfanylacetamide has a molecular weight of 355.42 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-phthalazin-1-ylsulfanylacetamide is sourced from PubChem (CID 2957944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).