N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide

C24H22N4O6S — CID 4844551

IUPACN-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(NC(=O)Cc3n[nH]c(=O)c4ccccc34)ccc2OC)cc1
InChIInChI=1S/C24H22N4O6S/c1-33-17-10-7-15(8-11-17)28-35(31,32)22-13-16(9-12-21(22)34-2)25-23(29)14-20-18-5-3-4-6-19(18)24(30)27-26-20/h3-13,28H,14H2,1-2H3,(H,25,29)(H,27,30)
InChIKeyIUBHIRJUDQVQJK-UHFFFAOYSA-N
MW494.53 g/mol
LogP2.92
Rot. Bonds8

About N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide

N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide (PubChem CID 4844551) 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]-2-(4-oxo-3H-phthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
PubChem CID4844551
Molecular FormulaC24H22N4O6S
Molecular Weight494.53 g/mol
Exact Mass494.13
IUPAC NameN-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(NC(=O)Cc3n[nH]c(=O)c4ccccc34)ccc2OC)cc1
InChIInChI=1S/C24H22N4O6S/c1-33-17-10-7-15(8-11-17)28-35(31,32)22-13-16(9-12-21(22)34-2)25-23(29)14-20-18-5-3-4-6-19(18)24(30)27-26-20/h3-13,28H,14H2,1-2H3,(H,25,29)(H,27,30)
InChIKeyIUBHIRJUDQVQJK-UHFFFAOYSA-N
XLogP2.92
TPSA139.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.53
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The IUPAC name of N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide (CID 4844551) is N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide.
What is the SMILES notation for N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The canonical SMILES for N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide is COc1ccc(NS(=O)(=O)c2cc(NC(=O)Cc3n[nH]c(=O)c4ccccc34)ccc2OC)cc1.
What is the InChIKey of N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The InChIKey is IUBHIRJUDQVQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O6S/c1-33-17-10-7-15(8-11-17)28-35(31,32)22-13-16(9-12-21(22)34-2)25-23(29)14-20-18-5-3-4-6-19(18)24(30)27-26-20/h3-13,28H,14H2,1-2H3,(H,25,29)(H,27,30).
What are the key properties of N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide has a molecular weight of 494.53 g/mol, XLogP of 2.92, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide is sourced from PubChem (CID 4844551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).