N-(2-ethoxyphenyl)-2-phthalazin-1-ylsulfanylacetamide

C18H17N3O2S — CID 6407676

IUPACN-(2-ethoxyphenyl)-2-phthalazin-1-ylsulfanylacetamide
SMILESCCOc1ccccc1NC(=O)CSc1nncc2ccccc12
InChIInChI=1S/C18H17N3O2S/c1-2-23-16-10-6-5-9-15(16)20-17(22)12-24-18-14-8-4-3-7-13(14)11-19-21-18/h3-11H,2,12H2,1H3,(H,20,22)
InChIKeyHRVIBIUMPBXSRR-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.76
Rot. Bonds6

About N-(2-ethoxyphenyl)-2-phthalazin-1-ylsulfanylacetamide

N-(2-ethoxyphenyl)-2-phthalazin-1-ylsulfanylacetamide (PubChem CID 6407676) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-phthalazin-1-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-phthalazin-1-ylsulfanylacetamide
PubChem CID6407676
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC NameN-(2-ethoxyphenyl)-2-phthalazin-1-ylsulfanylacetamide
SMILESCCOc1ccccc1NC(=O)CSc1nncc2ccccc12
InChIInChI=1S/C18H17N3O2S/c1-2-23-16-10-6-5-9-15(16)20-17(22)12-24-18-14-8-4-3-7-13(14)11-19-21-18/h3-11H,2,12H2,1H3,(H,20,22)
InChIKeyHRVIBIUMPBXSRR-UHFFFAOYSA-N
XLogP3.76
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-phthalazin-1-ylsulfanylacetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-phthalazin-1-ylsulfanylacetamide (CID 6407676) is N-(2-ethoxyphenyl)-2-phthalazin-1-ylsulfanylacetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-phthalazin-1-ylsulfanylacetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-phthalazin-1-ylsulfanylacetamide is CCOc1ccccc1NC(=O)CSc1nncc2ccccc12.
What is the InChIKey of N-(2-ethoxyphenyl)-2-phthalazin-1-ylsulfanylacetamide?
The InChIKey is HRVIBIUMPBXSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-2-23-16-10-6-5-9-15(16)20-17(22)12-24-18-14-8-4-3-7-13(14)11-19-21-18/h3-11H,2,12H2,1H3,(H,20,22).
What are the key properties of N-(2-ethoxyphenyl)-2-phthalazin-1-ylsulfanylacetamide?
N-(2-ethoxyphenyl)-2-phthalazin-1-ylsulfanylacetamide has a molecular weight of 339.42 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-phthalazin-1-ylsulfanylacetamide is sourced from PubChem (CID 6407676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).