N-[(2-methoxyphenyl)methyl]-2-(4-phenylphthalazin-1-yl)sulfanylacetamide

C24H21N3O2S — CID 17423991

IUPACN-[(2-methoxyphenyl)methyl]-2-(4-phenylphthalazin-1-yl)sulfanylacetamide
SMILESCOc1ccccc1CNC(=O)CSc1nnc(-c2ccccc2)c2ccccc12
InChIInChI=1S/C24H21N3O2S/c1-29-21-14-8-5-11-18(21)15-25-22(28)16-30-24-20-13-7-6-12-19(20)23(26-27-24)17-9-3-2-4-10-17/h2-14H,15-16H2,1H3,(H,25,28)
InChIKeyFELMOUQVWTWIIA-UHFFFAOYSA-N
MW415.52 g/mol
LogP4.71
Rot. Bonds7

About N-[(2-methoxyphenyl)methyl]-2-(4-phenylphthalazin-1-yl)sulfanylacetamide

N-[(2-methoxyphenyl)methyl]-2-(4-phenylphthalazin-1-yl)sulfanylacetamide (PubChem CID 17423991) has the molecular formula C24H21N3O2S and a molecular weight of 415.52 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-(4-phenylphthalazin-1-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-(4-phenylphthalazin-1-yl)sulfanylacetamide
PubChem CID17423991
Molecular FormulaC24H21N3O2S
Molecular Weight415.52 g/mol
Exact Mass415.14
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-(4-phenylphthalazin-1-yl)sulfanylacetamide
SMILESCOc1ccccc1CNC(=O)CSc1nnc(-c2ccccc2)c2ccccc12
InChIInChI=1S/C24H21N3O2S/c1-29-21-14-8-5-11-18(21)15-25-22(28)16-30-24-20-13-7-6-12-19(20)23(26-27-24)17-9-3-2-4-10-17/h2-14H,15-16H2,1H3,(H,25,28)
InChIKeyFELMOUQVWTWIIA-UHFFFAOYSA-N
XLogP4.71
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-2-((6-(3-methoxyphenyl)pyridazin-3-yl)thio)acetamide
CID 7206214
2-((6-(2-methoxyphenyl)pyridazin-3-yl)thio)-N-phenethylacetamide
CID 7502785
2-((6-(3-methoxyphenyl)pyridazin-3-yl)thio)-N-phenethylacetamide
CID 7502868
N-(2-methoxybenzyl)-2-[(6-thien-2-ylpyridazin-3-yl)thio]acetamide
CID 16194315
N-(4-methoxyphenyl)-2-(phthalazin-1-ylthio)acetamide
CID 6407673
N-Cyclohexyl-2-[6-(4-methoxy-phenyl)-pyridazin-3-ylsulfanyl]-acetamide
CID 3228005
N-(4-methoxyphenyl)-2-[(4-methylphthalazin-1-yl)sulfanyl]acetamide
CID 6401677
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-phenylphthalazin-1-yl)sulfanylacetamide
CID 6409306
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetamide
CID 6409413
N-cyclopentyl-2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 7206043
N-(4-methoxyphenyl)-2-(4-phenylphthalazin-1-yl)sulfanylacetamide
CID 7580574
N-[2-(2-methoxyphenyl)ethyl]-2-[(6-thien-2-ylpyridazin-3-yl)thio]acetamide
CID 16194292

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-(4-phenylphthalazin-1-yl)sulfanylacetamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-(4-phenylphthalazin-1-yl)sulfanylacetamide (CID 17423991) is N-[(2-methoxyphenyl)methyl]-2-(4-phenylphthalazin-1-yl)sulfanylacetamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-(4-phenylphthalazin-1-yl)sulfanylacetamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-(4-phenylphthalazin-1-yl)sulfanylacetamide is COc1ccccc1CNC(=O)CSc1nnc(-c2ccccc2)c2ccccc12.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-(4-phenylphthalazin-1-yl)sulfanylacetamide?
The InChIKey is FELMOUQVWTWIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2S/c1-29-21-14-8-5-11-18(21)15-25-22(28)16-30-24-20-13-7-6-12-19(20)23(26-27-24)17-9-3-2-4-10-17/h2-14H,15-16H2,1H3,(H,25,28).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-(4-phenylphthalazin-1-yl)sulfanylacetamide?
N-[(2-methoxyphenyl)methyl]-2-(4-phenylphthalazin-1-yl)sulfanylacetamide has a molecular weight of 415.52 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-(4-phenylphthalazin-1-yl)sulfanylacetamide is sourced from PubChem (CID 17423991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).