N-(2,3-dimethylphenyl)-2-[4-(4-methyl-3-sulfamoylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]propanamide

C26H30N4O4S — CID 50752081

About N-(2,3-dimethylphenyl)-2-[4-(4-methyl-3-sulfamoylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]propanamide

N-(2,3-dimethylphenyl)-2-[4-(4-methyl-3-sulfamoylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]propanamide (PubChem CID 50752081) has the molecular formula C26H30N4O4S and a molecular weight of 494.62 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[4-(4-methyl-3-sulfamoylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]propanamide.

Molecular Properties

• Compound Name: N-(2,3-dimethylphenyl)-2-[4-(4-methyl-3-sulfamoylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]propanamide
• PubChem CID: 50752081
• Molecular Formula: C26H30N4O4S
• Molecular Weight: 494.62 g/mol
• Exact Mass: 494.20
• IUPAC Name: N-(2,3-dimethylphenyl)-2-[4-(4-methyl-3-sulfamoylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]propanamide
• SMILES: Cc1ccc(-c2nn(C(C)C(=O)Nc3cccc(C)c3C)c(=O)c3c2CCCC3)cc1S(N)(=O)=O
• InChI: InChI=1S/C26H30N4O4S/c1-15-8-7-11-22(17(15)3)28-25(31)18(4)30-26(32)21-10-6-5-9-20(21)24(29-30)19-13-12-16(2)23(14-19)35(27,33)34/h7-8,11-14,18H,5-6,9-10H2,1-4H3,(H,28,31)(H2,27,33,34)
• InChIKey: AQCRGCKMSLMBAF-UHFFFAOYSA-N
• XLogP: 3.56
• TPSA: 124.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.62
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[4-(4-methyl-3-sulfamoylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]propanamide?

The IUPAC name of N-(2,3-dimethylphenyl)-2-[4-(4-methyl-3-sulfamoylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]propanamide (CID 50752081) is N-(2,3-dimethylphenyl)-2-[4-(4-methyl-3-sulfamoylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]propanamide.

What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[4-(4-methyl-3-sulfamoylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]propanamide?

The canonical SMILES for N-(2,3-dimethylphenyl)-2-[4-(4-methyl-3-sulfamoylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]propanamide is Cc1ccc(-c2nn(C(C)C(=O)Nc3cccc(C)c3C)c(=O)c3c2CCCC3)cc1S(N)(=O)=O.

What is the InChIKey of N-(2,3-dimethylphenyl)-2-[4-(4-methyl-3-sulfamoylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]propanamide?

The InChIKey is AQCRGCKMSLMBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4S/c1-15-8-7-11-22(17(15)3)28-25(31)18(4)30-26(32)21-10-6-5-9-20(21)24(29-30)19-13-12-16(2)23(14-19)35(27,33)34/h7-8,11-14,18H,5-6,9-10H2,1-4H3,(H,28,31)(H2,27,33,34).

What are the key properties of N-(2,3-dimethylphenyl)-2-[4-(4-methyl-3-sulfamoylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]propanamide?

N-(2,3-dimethylphenyl)-2-[4-(4-methyl-3-sulfamoylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]propanamide has a molecular weight of 494.62 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dimethylphenyl)-2-[4-(4-methyl-3-sulfamoylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]propanamide is sourced from PubChem (CID 50752081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).