N-(4-methoxyphenyl)-2-phthalazin-1-ylsulfanylacetamide

C17H15N3O2S — CID 6407673

IUPACN-(4-methoxyphenyl)-2-phthalazin-1-ylsulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2nncc3ccccc23)cc1
InChIInChI=1S/C17H15N3O2S/c1-22-14-8-6-13(7-9-14)19-16(21)11-23-17-15-5-3-2-4-12(15)10-18-20-17/h2-10H,11H2,1H3,(H,19,21)
InChIKeyKGWGLCOFQYSYJE-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.37
Rot. Bonds5

About N-(4-methoxyphenyl)-2-phthalazin-1-ylsulfanylacetamide

N-(4-methoxyphenyl)-2-phthalazin-1-ylsulfanylacetamide (PubChem CID 6407673) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-phthalazin-1-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-phthalazin-1-ylsulfanylacetamide
PubChem CID6407673
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC NameN-(4-methoxyphenyl)-2-phthalazin-1-ylsulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2nncc3ccccc23)cc1
InChIInChI=1S/C17H15N3O2S/c1-22-14-8-6-13(7-9-14)19-16(21)11-23-17-15-5-3-2-4-12(15)10-18-20-17/h2-10H,11H2,1H3,(H,19,21)
InChIKeyKGWGLCOFQYSYJE-UHFFFAOYSA-N
XLogP3.37
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-phthalazin-1-ylsulfanylacetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-phthalazin-1-ylsulfanylacetamide (CID 6407673) is N-(4-methoxyphenyl)-2-phthalazin-1-ylsulfanylacetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-phthalazin-1-ylsulfanylacetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-phthalazin-1-ylsulfanylacetamide is COc1ccc(NC(=O)CSc2nncc3ccccc23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-phthalazin-1-ylsulfanylacetamide?
The InChIKey is KGWGLCOFQYSYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-22-14-8-6-13(7-9-14)19-16(21)11-23-17-15-5-3-2-4-12(15)10-18-20-17/h2-10H,11H2,1H3,(H,19,21).
What are the key properties of N-(4-methoxyphenyl)-2-phthalazin-1-ylsulfanylacetamide?
N-(4-methoxyphenyl)-2-phthalazin-1-ylsulfanylacetamide has a molecular weight of 325.39 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-phthalazin-1-ylsulfanylacetamide is sourced from PubChem (CID 6407673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).