N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-methyl-4-oxophthalazine-1-carboxamide

C24H22N4O6S — CID 4832415

IUPACN-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-methyl-4-oxophthalazine-1-carboxamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3nn(C)c(=O)c4ccccc34)ccc2OC)cc1
InChIInChI=1S/C24H22N4O6S/c1-28-24(30)19-7-5-4-6-18(19)22(26-28)23(29)25-16-10-13-20(34-3)21(14-16)35(31,32)27-15-8-11-17(33-2)12-9-15/h4-14,27H,1-3H3,(H,25,29)
InChIKeyFPEXMHPZAYBKIO-UHFFFAOYSA-N
MW494.53 g/mol
LogP3.00
Rot. Bonds7

About N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-methyl-4-oxophthalazine-1-carboxamide

N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-methyl-4-oxophthalazine-1-carboxamide (PubChem CID 4832415) has the molecular formula C24H22N4O6S and a molecular weight of 494.53 g/mol. Its IUPAC name is N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-methyl-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-methyl-4-oxophthalazine-1-carboxamide
PubChem CID4832415
Molecular FormulaC24H22N4O6S
Molecular Weight494.53 g/mol
Exact Mass494.13
IUPAC NameN-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-methyl-4-oxophthalazine-1-carboxamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3nn(C)c(=O)c4ccccc34)ccc2OC)cc1
InChIInChI=1S/C24H22N4O6S/c1-28-24(30)19-7-5-4-6-18(19)22(26-28)23(29)25-16-10-13-20(34-3)21(14-16)35(31,32)27-15-8-11-17(33-2)12-9-15/h4-14,27H,1-3H3,(H,25,29)
InChIKeyFPEXMHPZAYBKIO-UHFFFAOYSA-N
XLogP3.00
TPSA128.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.53
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-methoxyphenyl)-2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetamide
CID 758936
N-[2-methoxy-5-(1,2,4,5-tetrahydro-3-benzazepin-3-ylsulfonyl)phenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 139033920
3-[2-(4-Methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 4317858
N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 4615749
N-[2-hydroxy-5-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-oxo-3-propylphthalazine-1-carboxamide
CID 4842619
N-(4-methoxyphenyl)-4-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzamide
CID 1087197
N-(5-(azepan-1-ylsulfonyl)-2-methoxyphenyl)-2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetamide
CID 16296311
N-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxyphenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 139033918
N-[5-(azocan-1-ylsulfonyl)-2-methoxyphenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 145946047
N-butyl-3-(4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide
CID 4053667
N-[(4-Fluorophenyl)methyl]-2-{[3-(4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-YL]formamido}acetamide
CID 4229933
N-[2-(cyclohexen-1-yl)ethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 4252973

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-methyl-4-oxophthalazine-1-carboxamide?
The IUPAC name of N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-methyl-4-oxophthalazine-1-carboxamide (CID 4832415) is N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-methyl-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-methyl-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-methyl-4-oxophthalazine-1-carboxamide is COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3nn(C)c(=O)c4ccccc34)ccc2OC)cc1.
What is the InChIKey of N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-methyl-4-oxophthalazine-1-carboxamide?
The InChIKey is FPEXMHPZAYBKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O6S/c1-28-24(30)19-7-5-4-6-18(19)22(26-28)23(29)25-16-10-13-20(34-3)21(14-16)35(31,32)27-15-8-11-17(33-2)12-9-15/h4-14,27H,1-3H3,(H,25,29).
What are the key properties of N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-methyl-4-oxophthalazine-1-carboxamide?
N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-methyl-4-oxophthalazine-1-carboxamide has a molecular weight of 494.53 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-methyl-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 4832415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).