N-methyl-2-[4-[[4-(4-methyl-3-sulfamoylphenyl)phthalazin-1-yl]amino]phenoxy]acetamide

C24H23N5O4S — CID 2905662

IUPACN-methyl-2-[4-[[4-(4-methyl-3-sulfamoylphenyl)phthalazin-1-yl]amino]phenoxy]acetamide
SMILESCNC(=O)COc1ccc(Nc2nnc(-c3ccc(C)c(S(N)(=O)=O)c3)c3ccccc23)cc1
InChIInChI=1S/C24H23N5O4S/c1-15-7-8-16(13-21(15)34(25,31)32)23-19-5-3-4-6-20(19)24(29-28-23)27-17-9-11-18(12-10-17)33-14-22(30)26-2/h3-13H,14H2,1-2H3,(H,26,30)(H,27,29)(H2,25,31,32)
InChIKeyMSOSGVHOEASVCN-UHFFFAOYSA-N
MW477.55 g/mol
LogP3.12
Rot. Bonds7

About N-methyl-2-[4-[[4-(4-methyl-3-sulfamoylphenyl)phthalazin-1-yl]amino]phenoxy]acetamide

N-methyl-2-[4-[[4-(4-methyl-3-sulfamoylphenyl)phthalazin-1-yl]amino]phenoxy]acetamide (PubChem CID 2905662) has the molecular formula C24H23N5O4S and a molecular weight of 477.55 g/mol. Its IUPAC name is N-methyl-2-[4-[[4-(4-methyl-3-sulfamoylphenyl)phthalazin-1-yl]amino]phenoxy]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-[[4-(4-methyl-3-sulfamoylphenyl)phthalazin-1-yl]amino]phenoxy]acetamide
PubChem CID2905662
Molecular FormulaC24H23N5O4S
Molecular Weight477.55 g/mol
Exact Mass477.15
IUPAC NameN-methyl-2-[4-[[4-(4-methyl-3-sulfamoylphenyl)phthalazin-1-yl]amino]phenoxy]acetamide
SMILESCNC(=O)COc1ccc(Nc2nnc(-c3ccc(C)c(S(N)(=O)=O)c3)c3ccccc23)cc1
InChIInChI=1S/C24H23N5O4S/c1-15-7-8-16(13-21(15)34(25,31)32)23-19-5-3-4-6-20(19)24(29-28-23)27-17-9-11-18(12-10-17)33-14-22(30)26-2/h3-13H,14H2,1-2H3,(H,26,30)(H,27,29)(H2,25,31,32)
InChIKeyMSOSGVHOEASVCN-UHFFFAOYSA-N
XLogP3.12
TPSA136.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.55
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-methyl-2-[4-[[4-(4-methyl-3-sulfamoylphenyl)phthalazin-1-yl]amino]phenoxy]acetamide 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-methyl-2-[4-[[4-(4-methyl-3-sulfamoylphenyl)phthalazin-1-yl]amino]phenoxy]acetamide?
The IUPAC name of N-methyl-2-[4-[[4-(4-methyl-3-sulfamoylphenyl)phthalazin-1-yl]amino]phenoxy]acetamide (CID 2905662) is N-methyl-2-[4-[[4-(4-methyl-3-sulfamoylphenyl)phthalazin-1-yl]amino]phenoxy]acetamide.
What is the SMILES notation for N-methyl-2-[4-[[4-(4-methyl-3-sulfamoylphenyl)phthalazin-1-yl]amino]phenoxy]acetamide?
The canonical SMILES for N-methyl-2-[4-[[4-(4-methyl-3-sulfamoylphenyl)phthalazin-1-yl]amino]phenoxy]acetamide is CNC(=O)COc1ccc(Nc2nnc(-c3ccc(C)c(S(N)(=O)=O)c3)c3ccccc23)cc1.
What is the InChIKey of N-methyl-2-[4-[[4-(4-methyl-3-sulfamoylphenyl)phthalazin-1-yl]amino]phenoxy]acetamide?
The InChIKey is MSOSGVHOEASVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O4S/c1-15-7-8-16(13-21(15)34(25,31)32)23-19-5-3-4-6-20(19)24(29-28-23)27-17-9-11-18(12-10-17)33-14-22(30)26-2/h3-13H,14H2,1-2H3,(H,26,30)(H,27,29)(H2,25,31,32).
What are the key properties of N-methyl-2-[4-[[4-(4-methyl-3-sulfamoylphenyl)phthalazin-1-yl]amino]phenoxy]acetamide?
N-methyl-2-[4-[[4-(4-methyl-3-sulfamoylphenyl)phthalazin-1-yl]amino]phenoxy]acetamide has a molecular weight of 477.55 g/mol, XLogP of 3.12, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[[4-(4-methyl-3-sulfamoylphenyl)phthalazin-1-yl]amino]phenoxy]acetamide is sourced from PubChem (CID 2905662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).