2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-(2-methoxyphenyl)propanamide

C24H20FN3O2S — CID 42898774

IUPAC2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)C(C)Sc1nnc(-c2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C24H20FN3O2S/c1-15(23(29)26-20-9-5-6-10-21(20)30-2)31-24-19-8-4-3-7-18(19)22(27-28-24)16-11-13-17(25)14-12-16/h3-15H,1-2H3,(H,26,29)
InChIKeyGCELBSNIJDNRNJ-UHFFFAOYSA-N
MW433.51 g/mol
LogP5.56
Rot. Bonds6

About 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-(2-methoxyphenyl)propanamide

2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-(2-methoxyphenyl)propanamide (PubChem CID 42898774) has the molecular formula C24H20FN3O2S and a molecular weight of 433.51 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-(2-methoxyphenyl)propanamide
PubChem CID42898774
Molecular FormulaC24H20FN3O2S
Molecular Weight433.51 g/mol
Exact Mass433.13
IUPAC Name2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)C(C)Sc1nnc(-c2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C24H20FN3O2S/c1-15(23(29)26-20-9-5-6-10-21(20)30-2)31-24-19-8-4-3-7-18(19)22(27-28-24)16-11-13-17(25)14-12-16/h3-15H,1-2H3,(H,26,29)
InChIKeyGCELBSNIJDNRNJ-UHFFFAOYSA-N
XLogP5.56
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.51
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-(2-methoxyphenyl)propanamide?
The IUPAC name of 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-(2-methoxyphenyl)propanamide (CID 42898774) is 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-(2-methoxyphenyl)propanamide is COc1ccccc1NC(=O)C(C)Sc1nnc(-c2ccc(F)cc2)c2ccccc12.
What is the InChIKey of 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-(2-methoxyphenyl)propanamide?
The InChIKey is GCELBSNIJDNRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O2S/c1-15(23(29)26-20-9-5-6-10-21(20)30-2)31-24-19-8-4-3-7-18(19)22(27-28-24)16-11-13-17(25)14-12-16/h3-15H,1-2H3,(H,26,29).
What are the key properties of 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-(2-methoxyphenyl)propanamide?
2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-(2-methoxyphenyl)propanamide has a molecular weight of 433.51 g/mol, XLogP of 5.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 42898774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).