N-[4-chloro-2-methyl-6-[2-[2-(methylsulfonimidoyl)ethoxy]ethylcarbamoyl]phenyl]-1-(3-methyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide

C24H26ClF3N6O4S — CID 88974723

About N-[4-chloro-2-methyl-6-[2-[2-(methylsulfonimidoyl)ethoxy]ethylcarbamoyl]phenyl]-1-(3-methyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide

N-[4-chloro-2-methyl-6-[2-[2-(methylsulfonimidoyl)ethoxy]ethylcarbamoyl]phenyl]-1-(3-methyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 88974723) has the molecular formula C24H26ClF3N6O4S and a molecular weight of 587.02 g/mol. Its IUPAC name is N-[4-chloro-2-methyl-6-[2-[2-(methylsulfonimidoyl)ethoxy]ethylcarbamoyl]phenyl]-1-(3-methyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[4-chloro-2-methyl-6-[2-[2-(methylsulfonimidoyl)ethoxy]ethylcarbamoyl]phenyl]-1-(3-methyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
• PubChem CID: 88974723
• Molecular Formula: C24H26ClF3N6O4S
• Molecular Weight: 587.02 g/mol
• Exact Mass: 586.14
• IUPAC Name: N-[4-chloro-2-methyl-6-[2-[2-(methylsulfonimidoyl)ethoxy]ethylcarbamoyl]phenyl]-1-(3-methyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
• SMILES: [H]N=S(C)(=O)CCOCCNC(=O)c1cc(Cl)cc(C)c1NC(=O)c1cc(C(F)(F)F)nn1-c1ncccc1C
• InChI: InChI=1S/C24H26ClF3N6O4S/c1-14-5-4-6-30-21(14)34-18(13-19(33-34)24(26,27)28)23(36)32-20-15(2)11-16(25)12-17(20)22(35)31-7-8-38-9-10-39(3,29)37/h4-6,11-13,29H,7-10H2,1-3H3,(H,31,35)(H,32,36)
• InChIKey: PSPPWGUDZKKTSS-UHFFFAOYSA-N
• XLogP: 4.23
• TPSA: 139.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	587.02
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-methyl-6-[2-[2-(methylsulfonimidoyl)ethoxy]ethylcarbamoyl]phenyl]-1-(3-methyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?

The IUPAC name of N-[4-chloro-2-methyl-6-[2-[2-(methylsulfonimidoyl)ethoxy]ethylcarbamoyl]phenyl]-1-(3-methyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 88974723) is N-[4-chloro-2-methyl-6-[2-[2-(methylsulfonimidoyl)ethoxy]ethylcarbamoyl]phenyl]-1-(3-methyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide.

What is the SMILES notation for N-[4-chloro-2-methyl-6-[2-[2-(methylsulfonimidoyl)ethoxy]ethylcarbamoyl]phenyl]-1-(3-methyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?

The canonical SMILES for N-[4-chloro-2-methyl-6-[2-[2-(methylsulfonimidoyl)ethoxy]ethylcarbamoyl]phenyl]-1-(3-methyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide is [H]N=S(C)(=O)CCOCCNC(=O)c1cc(Cl)cc(C)c1NC(=O)c1cc(C(F)(F)F)nn1-c1ncccc1C.

What is the InChIKey of N-[4-chloro-2-methyl-6-[2-[2-(methylsulfonimidoyl)ethoxy]ethylcarbamoyl]phenyl]-1-(3-methyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?

The InChIKey is PSPPWGUDZKKTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClF3N6O4S/c1-14-5-4-6-30-21(14)34-18(13-19(33-34)24(26,27)28)23(36)32-20-15(2)11-16(25)12-17(20)22(35)31-7-8-38-9-10-39(3,29)37/h4-6,11-13,29H,7-10H2,1-3H3,(H,31,35)(H,32,36).

What are the key properties of N-[4-chloro-2-methyl-6-[2-[2-(methylsulfonimidoyl)ethoxy]ethylcarbamoyl]phenyl]-1-(3-methyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?

N-[4-chloro-2-methyl-6-[2-[2-(methylsulfonimidoyl)ethoxy]ethylcarbamoyl]phenyl]-1-(3-methyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 587.02 g/mol, XLogP of 4.23, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-chloro-2-methyl-6-[2-[2-(methylsulfonimidoyl)ethoxy]ethylcarbamoyl]phenyl]-1-(3-methyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 88974723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).