N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide

C26H33N5O5S — CID 4856797

About N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide

N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide (PubChem CID 4856797) has the molecular formula C26H33N5O5S and a molecular weight of 527.65 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide.

Molecular Properties

• Compound Name: N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
• PubChem CID: 4856797
• Molecular Formula: C26H33N5O5S
• Molecular Weight: 527.65 g/mol
• Exact Mass: 527.22
• IUPAC Name: N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
• SMILES: CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2nn(C(C)C)c(=O)c3ccccc23)c1
• InChI: InChI=1S/C26H33N5O5S/c1-5-30(6-2)37(34,35)19-11-12-23(29-13-15-36-16-14-29)22(17-19)27-25(32)24-20-9-7-8-10-21(20)26(33)31(28-24)18(3)4/h7-12,17-18H,5-6,13-16H2,1-4H3,(H,27,32)
• InChIKey: RVJCETSIYBYUQI-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 113.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.65
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide?

The IUPAC name of N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide (CID 4856797) is N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide.

What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide?

The canonical SMILES for N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide is CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2nn(C(C)C)c(=O)c3ccccc23)c1.

What is the InChIKey of N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide?

The InChIKey is RVJCETSIYBYUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O5S/c1-5-30(6-2)37(34,35)19-11-12-23(29-13-15-36-16-14-29)22(17-19)27-25(32)24-20-9-7-8-10-21(20)26(33)31(28-24)18(3)4/h7-12,17-18H,5-6,13-16H2,1-4H3,(H,27,32).

What are the key properties of N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide?

N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide has a molecular weight of 527.65 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide is sourced from PubChem (CID 4856797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).