N-(2,4-dimethoxyphenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetamide

C24H20FN3O3S — CID 6409015

IUPACN-(2,4-dimethoxyphenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)c3ccccc23)c(OC)c1
InChIInChI=1S/C24H20FN3O3S/c1-30-17-11-12-20(21(13-17)31-2)26-22(29)14-32-24-19-6-4-3-5-18(19)23(27-28-24)15-7-9-16(25)10-8-15/h3-13H,14H2,1-2H3,(H,26,29)
InChIKeyXPXMPLHULQLADS-UHFFFAOYSA-N
MW449.51 g/mol
LogP5.18
Rot. Bonds7

About N-(2,4-dimethoxyphenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetamide

N-(2,4-dimethoxyphenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetamide (PubChem CID 6409015) has the molecular formula C24H20FN3O3S and a molecular weight of 449.51 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetamide
PubChem CID6409015
Molecular FormulaC24H20FN3O3S
Molecular Weight449.51 g/mol
Exact Mass449.12
IUPAC NameN-(2,4-dimethoxyphenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)c3ccccc23)c(OC)c1
InChIInChI=1S/C24H20FN3O3S/c1-30-17-11-12-20(21(13-17)31-2)26-22(29)14-32-24-19-6-4-3-5-18(19)23(27-28-24)15-7-9-16(25)10-8-15/h3-13H,14H2,1-2H3,(H,26,29)
InChIKeyXPXMPLHULQLADS-UHFFFAOYSA-N
XLogP5.18
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.51
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2,4-dimethoxyphenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetamide (CID 6409015) is N-(2,4-dimethoxyphenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetamide is COc1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)c3ccccc23)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetamide?
The InChIKey is XPXMPLHULQLADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O3S/c1-30-17-11-12-20(21(13-17)31-2)26-22(29)14-32-24-19-6-4-3-5-18(19)23(27-28-24)15-7-9-16(25)10-8-15/h3-13H,14H2,1-2H3,(H,26,29).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetamide?
N-(2,4-dimethoxyphenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetamide has a molecular weight of 449.51 g/mol, XLogP of 5.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetamide is sourced from PubChem (CID 6409015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).