N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-oxo-3-propylphthalazine-1-carboxamide

C23H28N4O5S — CID 3287649

IUPACN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-oxo-3-propylphthalazine-1-carboxamide
SMILESCCCn1nc(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2OC)c2ccccc2c1=O
InChIInChI=1S/C23H28N4O5S/c1-5-14-27-23(29)18-11-9-8-10-17(18)21(25-27)22(28)24-19-15-16(12-13-20(19)32-4)33(30,31)26(6-2)7-3/h8-13,15H,5-7,14H2,1-4H3,(H,24,28)
InChIKeyRQYCLUQRIBDANT-UHFFFAOYSA-N
MW472.57 g/mol
LogP3.10
Rot. Bonds9

About N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-oxo-3-propylphthalazine-1-carboxamide

N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-oxo-3-propylphthalazine-1-carboxamide (PubChem CID 3287649) has the molecular formula C23H28N4O5S and a molecular weight of 472.57 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-oxo-3-propylphthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-oxo-3-propylphthalazine-1-carboxamide
PubChem CID3287649
Molecular FormulaC23H28N4O5S
Molecular Weight472.57 g/mol
Exact Mass472.18
IUPAC NameN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-oxo-3-propylphthalazine-1-carboxamide
SMILESCCCn1nc(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2OC)c2ccccc2c1=O
InChIInChI=1S/C23H28N4O5S/c1-5-14-27-23(29)18-11-9-8-10-17(18)21(25-27)22(28)24-19-15-16(12-13-20(19)32-4)33(30,31)26(6-2)7-3/h8-13,15H,5-7,14H2,1-4H3,(H,24,28)
InChIKeyRQYCLUQRIBDANT-UHFFFAOYSA-N
XLogP3.10
TPSA110.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-oxo-3-propylphthalazine-1-carboxamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-oxo-3-propylphthalazine-1-carboxamide (CID 3287649) is N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-oxo-3-propylphthalazine-1-carboxamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-oxo-3-propylphthalazine-1-carboxamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-oxo-3-propylphthalazine-1-carboxamide is CCCn1nc(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2OC)c2ccccc2c1=O.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-oxo-3-propylphthalazine-1-carboxamide?
The InChIKey is RQYCLUQRIBDANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O5S/c1-5-14-27-23(29)18-11-9-8-10-17(18)21(25-27)22(28)24-19-15-16(12-13-20(19)32-4)33(30,31)26(6-2)7-3/h8-13,15H,5-7,14H2,1-4H3,(H,24,28).
What are the key properties of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-oxo-3-propylphthalazine-1-carboxamide?
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-oxo-3-propylphthalazine-1-carboxamide has a molecular weight of 472.57 g/mol, XLogP of 3.10, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-oxo-3-propylphthalazine-1-carboxamide is sourced from PubChem (CID 3287649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).