N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-1-(3-methylphenyl)-4-oxopyridazine-3-carboxamide

C24H26N4O5S — CID 40967362

About N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-1-(3-methylphenyl)-4-oxopyridazine-3-carboxamide

N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-1-(3-methylphenyl)-4-oxopyridazine-3-carboxamide (PubChem CID 40967362) has the molecular formula C24H26N4O5S and a molecular weight of 482.56 g/mol. Its IUPAC name is N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-1-(3-methylphenyl)-4-oxopyridazine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-1-(3-methylphenyl)-4-oxopyridazine-3-carboxamide
• PubChem CID: 40967362
• Molecular Formula: C24H26N4O5S
• Molecular Weight: 482.56 g/mol
• Exact Mass: 482.16
• IUPAC Name: N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-1-(3-methylphenyl)-4-oxopyridazine-3-carboxamide
• SMILES: Cc1cccc(-n2ccc(=O)c(C(=O)Nc3ccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)n2)c1
• InChI: InChI=1S/C24H26N4O5S/c1-16-5-4-6-20(13-16)28-12-11-22(29)23(26-28)24(30)25-19-7-9-21(10-8-19)34(31,32)27-14-17(2)33-18(3)15-27/h4-13,17-18H,14-15H2,1-3H3,(H,25,30)/t17-,18-/m0/s1
• InChIKey: UJQWFCREUSBINJ-ROUUACIJSA-N
• XLogP: 2.59
• TPSA: 110.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.56
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-1-(3-methylphenyl)-4-oxopyridazine-3-carboxamide?

The IUPAC name of N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-1-(3-methylphenyl)-4-oxopyridazine-3-carboxamide (CID 40967362) is N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-1-(3-methylphenyl)-4-oxopyridazine-3-carboxamide.

What is the SMILES notation for N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-1-(3-methylphenyl)-4-oxopyridazine-3-carboxamide?

The canonical SMILES for N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-1-(3-methylphenyl)-4-oxopyridazine-3-carboxamide is Cc1cccc(-n2ccc(=O)c(C(=O)Nc3ccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)n2)c1.

What is the InChIKey of N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-1-(3-methylphenyl)-4-oxopyridazine-3-carboxamide?

The InChIKey is UJQWFCREUSBINJ-ROUUACIJSA-N. The full InChI is InChI=1S/C24H26N4O5S/c1-16-5-4-6-20(13-16)28-12-11-22(29)23(26-28)24(30)25-19-7-9-21(10-8-19)34(31,32)27-14-17(2)33-18(3)15-27/h4-13,17-18H,14-15H2,1-3H3,(H,25,30)/t17-,18-/m0/s1.

What are the key properties of N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-1-(3-methylphenyl)-4-oxopyridazine-3-carboxamide?

N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-1-(3-methylphenyl)-4-oxopyridazine-3-carboxamide has a molecular weight of 482.56 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-1-(3-methylphenyl)-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 40967362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).