N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-4-(diethylsulfamoyl)benzamide

C25H30N4O4S — CID 90490247

IUPACN-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-4-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2nn(C3CCCC3)c(=O)c3ccccc23)cc1
InChIInChI=1S/C25H30N4O4S/c1-3-28(4-2)34(32,33)20-15-13-18(14-16-20)24(30)26-17-23-21-11-7-8-12-22(21)25(31)29(27-23)19-9-5-6-10-19/h7-8,11-16,19H,3-6,9-10,17H2,1-2H3,(H,26,30)
InChIKeyAVMYVVLDDOWDGL-UHFFFAOYSA-N
MW482.61 g/mol
LogP3.47
Rot. Bonds8

About N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-4-(diethylsulfamoyl)benzamide

N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-4-(diethylsulfamoyl)benzamide (PubChem CID 90490247) has the molecular formula C25H30N4O4S and a molecular weight of 482.61 g/mol. Its IUPAC name is N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-4-(diethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-4-(diethylsulfamoyl)benzamide
PubChem CID90490247
Molecular FormulaC25H30N4O4S
Molecular Weight482.61 g/mol
Exact Mass482.20
IUPAC NameN-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-4-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2nn(C3CCCC3)c(=O)c3ccccc23)cc1
InChIInChI=1S/C25H30N4O4S/c1-3-28(4-2)34(32,33)20-15-13-18(14-16-20)24(30)26-17-23-21-11-7-8-12-22(21)25(31)29(27-23)19-9-5-6-10-19/h7-8,11-16,19H,3-6,9-10,17H2,1-2H3,(H,26,30)
InChIKeyAVMYVVLDDOWDGL-UHFFFAOYSA-N
XLogP3.47
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.61
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-4-(diethylsulfamoyl)benzamide 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-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-4-(diethylsulfamoyl)benzamide?
The IUPAC name of N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-4-(diethylsulfamoyl)benzamide (CID 90490247) is N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-4-(diethylsulfamoyl)benzamide.
What is the SMILES notation for N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-4-(diethylsulfamoyl)benzamide?
The canonical SMILES for N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-4-(diethylsulfamoyl)benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2nn(C3CCCC3)c(=O)c3ccccc23)cc1.
What is the InChIKey of N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-4-(diethylsulfamoyl)benzamide?
The InChIKey is AVMYVVLDDOWDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O4S/c1-3-28(4-2)34(32,33)20-15-13-18(14-16-20)24(30)26-17-23-21-11-7-8-12-22(21)25(31)29(27-23)19-9-5-6-10-19/h7-8,11-16,19H,3-6,9-10,17H2,1-2H3,(H,26,30).
What are the key properties of N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-4-(diethylsulfamoyl)benzamide?
N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-4-(diethylsulfamoyl)benzamide has a molecular weight of 482.61 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-4-(diethylsulfamoyl)benzamide is sourced from PubChem (CID 90490247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).