2-methoxy-N-methyl-5-[[4-(4-methyl-3-sulfamoylphenyl)phthalazin-1-yl]amino]benzamide

C24H23N5O4S — CID 1417677

IUPAC2-methoxy-N-methyl-5-[[4-(4-methyl-3-sulfamoylphenyl)phthalazin-1-yl]amino]benzamide
SMILESCNC(=O)c1cc(Nc2nnc(-c3ccc(C)c(S(N)(=O)=O)c3)c3ccccc23)ccc1OC
InChIInChI=1S/C24H23N5O4S/c1-14-8-9-15(12-21(14)34(25,31)32)22-17-6-4-5-7-18(17)23(29-28-22)27-16-10-11-20(33-3)19(13-16)24(30)26-2/h4-13H,1-3H3,(H,26,30)(H,27,29)(H2,25,31,32)
InChIKeyWLTUFXKAXRFZOH-UHFFFAOYSA-N
MW477.55 g/mol
LogP3.36
Rot. Bonds6

About 2-methoxy-N-methyl-5-[[4-(4-methyl-3-sulfamoylphenyl)phthalazin-1-yl]amino]benzamide

2-methoxy-N-methyl-5-[[4-(4-methyl-3-sulfamoylphenyl)phthalazin-1-yl]amino]benzamide (PubChem CID 1417677) has the molecular formula C24H23N5O4S and a molecular weight of 477.55 g/mol. Its IUPAC name is 2-methoxy-N-methyl-5-[[4-(4-methyl-3-sulfamoylphenyl)phthalazin-1-yl]amino]benzamide.

Molecular Properties

Compound Name2-methoxy-N-methyl-5-[[4-(4-methyl-3-sulfamoylphenyl)phthalazin-1-yl]amino]benzamide
PubChem CID1417677
Molecular FormulaC24H23N5O4S
Molecular Weight477.55 g/mol
Exact Mass477.15
IUPAC Name2-methoxy-N-methyl-5-[[4-(4-methyl-3-sulfamoylphenyl)phthalazin-1-yl]amino]benzamide
SMILESCNC(=O)c1cc(Nc2nnc(-c3ccc(C)c(S(N)(=O)=O)c3)c3ccccc23)ccc1OC
InChIInChI=1S/C24H23N5O4S/c1-14-8-9-15(12-21(14)34(25,31)32)22-17-6-4-5-7-18(17)23(29-28-22)27-16-10-11-20(33-3)19(13-16)24(30)26-2/h4-13H,1-3H3,(H,26,30)(H,27,29)(H2,25,31,32)
InChIKeyWLTUFXKAXRFZOH-UHFFFAOYSA-N
XLogP3.36
TPSA136.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.55
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-methoxy-N-methyl-5-[(4-methylphthalazin-1-yl)amino]benzamide
CID 1394690
5-({4-[3-(cyclohexylsulfamoyl)-4-methylphenyl]phthalazin-1-yl}amino)-2-methoxy-N-methylbenzamide
CID 6412329
4-{4-[(4-Methoxyphenyl)amino]phthalazin-1-yl}benzamide
CID 1391316
5-((4-(4-Hydroxyphenyl)phthalazin-1-yl)amino)-2-methoxybenzamide
CID 1384343
2-[4-({4-[3-(tert-butylsulfamoyl)-4-methylphenyl]phthalazin-1-yl}amino)phenoxy]-N-methylacetamide
CID 1393710
4-(4-methoxyphenyl)-N-[4-methoxy-3-(1-piperidinylcarbonyl)phenyl]-1-phthalazinamine
CID 6403605
[2-Methoxy-5-[[4-(4-methylphenyl)-1-phthalazinyl]amino]phenyl]-(1-piperidinyl)methanone
CID 6407317
(2-Methoxy-5-((4-phenylphthalazin-1-yl)amino)phenyl)(piperidin-1-yl)methanone
CID 6413332
5-{[4-(4-hydroxyphenyl)phthalazin-1-yl]amino}-2-methoxy-N-methylbenzamide
CID 1384560
N-methyl-2-(4-{[4-(4-methyl-3-sulfamoylphenyl)phthalazin-1-yl]amino}phenoxy)acetamide
CID 2905662
5-{[4-(4-ethoxyphenyl)phthalazin-1-yl]amino}-2-methoxy-N-methylbenzamide
CID 6403593
2-Methoxy-5-((4-methylphthalazin-1-yl)amino)benzamide
CID 659452

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-5-[[4-(4-methyl-3-sulfamoylphenyl)phthalazin-1-yl]amino]benzamide?
The IUPAC name of 2-methoxy-N-methyl-5-[[4-(4-methyl-3-sulfamoylphenyl)phthalazin-1-yl]amino]benzamide (CID 1417677) is 2-methoxy-N-methyl-5-[[4-(4-methyl-3-sulfamoylphenyl)phthalazin-1-yl]amino]benzamide.
What is the SMILES notation for 2-methoxy-N-methyl-5-[[4-(4-methyl-3-sulfamoylphenyl)phthalazin-1-yl]amino]benzamide?
The canonical SMILES for 2-methoxy-N-methyl-5-[[4-(4-methyl-3-sulfamoylphenyl)phthalazin-1-yl]amino]benzamide is CNC(=O)c1cc(Nc2nnc(-c3ccc(C)c(S(N)(=O)=O)c3)c3ccccc23)ccc1OC.
What is the InChIKey of 2-methoxy-N-methyl-5-[[4-(4-methyl-3-sulfamoylphenyl)phthalazin-1-yl]amino]benzamide?
The InChIKey is WLTUFXKAXRFZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O4S/c1-14-8-9-15(12-21(14)34(25,31)32)22-17-6-4-5-7-18(17)23(29-28-22)27-16-10-11-20(33-3)19(13-16)24(30)26-2/h4-13H,1-3H3,(H,26,30)(H,27,29)(H2,25,31,32).
What are the key properties of 2-methoxy-N-methyl-5-[[4-(4-methyl-3-sulfamoylphenyl)phthalazin-1-yl]amino]benzamide?
2-methoxy-N-methyl-5-[[4-(4-methyl-3-sulfamoylphenyl)phthalazin-1-yl]amino]benzamide has a molecular weight of 477.55 g/mol, XLogP of 3.36, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-5-[[4-(4-methyl-3-sulfamoylphenyl)phthalazin-1-yl]amino]benzamide is sourced from PubChem (CID 1417677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).