1-(2-methoxyphenyl)-2-(4-phenylphthalazin-1-yl)sulfanylethanone

C23H18N2O2S — CID 7580384

IUPAC1-(2-methoxyphenyl)-2-(4-phenylphthalazin-1-yl)sulfanylethanone
SMILESCOc1ccccc1C(=O)CSc1nnc(-c2ccccc2)c2ccccc12
InChIInChI=1S/C23H18N2O2S/c1-27-21-14-8-7-13-19(21)20(26)15-28-23-18-12-6-5-11-17(18)22(24-25-23)16-9-3-2-4-10-16/h2-14H,15H2,1H3
InChIKeyFLUCJMFLBACQBN-UHFFFAOYSA-N
MW386.48 g/mol
LogP5.28
Rot. Bonds6

About 1-(2-methoxyphenyl)-2-(4-phenylphthalazin-1-yl)sulfanylethanone

1-(2-methoxyphenyl)-2-(4-phenylphthalazin-1-yl)sulfanylethanone (PubChem CID 7580384) has the molecular formula C23H18N2O2S and a molecular weight of 386.48 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-2-(4-phenylphthalazin-1-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-2-(4-phenylphthalazin-1-yl)sulfanylethanone
PubChem CID7580384
Molecular FormulaC23H18N2O2S
Molecular Weight386.48 g/mol
Exact Mass386.11
IUPAC Name1-(2-methoxyphenyl)-2-(4-phenylphthalazin-1-yl)sulfanylethanone
SMILESCOc1ccccc1C(=O)CSc1nnc(-c2ccccc2)c2ccccc12
InChIInChI=1S/C23H18N2O2S/c1-27-21-14-8-7-13-19(21)20(26)15-28-23-18-12-6-5-11-17(18)22(24-25-23)16-9-3-2-4-10-16/h2-14H,15H2,1H3
InChIKeyFLUCJMFLBACQBN-UHFFFAOYSA-N
XLogP5.28
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.48
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-dimethylphenyl)-2-(4-phenylphthalazin-1-yl)sulfanylethanone
CID 7915597
N-[(2-methoxyphenyl)methyl]-N-methyl-2-(4-phenylphthalazin-1-yl)sulfanylacetamide
CID 17446702
1-(2,5-diethylphenyl)-2-(4-phenylphthalazin-1-yl)sulfanylethanone
CID 7915582
2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-1-(2,4,5-trimethylphenyl)ethanone
CID 6411716
N-methyl-2-(4-phenylphthalazin-1-yl)sulfanylacetamide
CID 7580453
1-(2-methoxyphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 2340789
1-(2-methoxyphenyl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone
CID 16541541
N-(3,5-dimethylphenyl)-2-(4-phenylphthalazin-1-yl)sulfanylacetamide
CID 7580579
2-(4-phenylphthalazin-1-yl)sulfanyl-N-[(2R)-2-phenylpropyl]acetamide
CID 7580429
(2S)-N-(2-methoxyphenyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide
CID 7580490
1-(2-methoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanone
CID 60778727
1-(2-methoxyphenyl)-2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 16538072

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-2-(4-phenylphthalazin-1-yl)sulfanylethanone?
The IUPAC name of 1-(2-methoxyphenyl)-2-(4-phenylphthalazin-1-yl)sulfanylethanone (CID 7580384) is 1-(2-methoxyphenyl)-2-(4-phenylphthalazin-1-yl)sulfanylethanone.
What is the SMILES notation for 1-(2-methoxyphenyl)-2-(4-phenylphthalazin-1-yl)sulfanylethanone?
The canonical SMILES for 1-(2-methoxyphenyl)-2-(4-phenylphthalazin-1-yl)sulfanylethanone is COc1ccccc1C(=O)CSc1nnc(-c2ccccc2)c2ccccc12.
What is the InChIKey of 1-(2-methoxyphenyl)-2-(4-phenylphthalazin-1-yl)sulfanylethanone?
The InChIKey is FLUCJMFLBACQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O2S/c1-27-21-14-8-7-13-19(21)20(26)15-28-23-18-12-6-5-11-17(18)22(24-25-23)16-9-3-2-4-10-16/h2-14H,15H2,1H3.
What are the key properties of 1-(2-methoxyphenyl)-2-(4-phenylphthalazin-1-yl)sulfanylethanone?
1-(2-methoxyphenyl)-2-(4-phenylphthalazin-1-yl)sulfanylethanone has a molecular weight of 386.48 g/mol, XLogP of 5.28, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-2-(4-phenylphthalazin-1-yl)sulfanylethanone is sourced from PubChem (CID 7580384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).