N-(4-ethylphenyl)-N-(2-methylpropyl)-3-(methylsulfonimidoyl)-4-[(2-oxopiperidin-4-yl)amino]benzenesulfonamide

C24H34N4O4S2 — CID 121414064

About N-(4-ethylphenyl)-N-(2-methylpropyl)-3-(methylsulfonimidoyl)-4-[(2-oxopiperidin-4-yl)amino]benzenesulfonamide

N-(4-ethylphenyl)-N-(2-methylpropyl)-3-(methylsulfonimidoyl)-4-[(2-oxopiperidin-4-yl)amino]benzenesulfonamide (PubChem CID 121414064) has the molecular formula C24H34N4O4S2 and a molecular weight of 506.69 g/mol. Its IUPAC name is N-(4-ethylphenyl)-N-(2-methylpropyl)-3-(methylsulfonimidoyl)-4-[(2-oxopiperidin-4-yl)amino]benzenesulfonamide.

Molecular Properties

• Compound Name: N-(4-ethylphenyl)-N-(2-methylpropyl)-3-(methylsulfonimidoyl)-4-[(2-oxopiperidin-4-yl)amino]benzenesulfonamide
• PubChem CID: 121414064
• Molecular Formula: C24H34N4O4S2
• Molecular Weight: 506.69 g/mol
• Exact Mass: 506.20
• IUPAC Name: N-(4-ethylphenyl)-N-(2-methylpropyl)-3-(methylsulfonimidoyl)-4-[(2-oxopiperidin-4-yl)amino]benzenesulfonamide
• SMILES: [H]N=S(C)(=O)c1cc(S(=O)(=O)N(CC(C)C)c2ccc(CC)cc2)ccc1NC1CCNC(=O)C1
• InChI: InChI=1S/C24H34N4O4S2/c1-5-18-6-8-20(9-7-18)28(16-17(2)3)34(31,32)21-10-11-22(23(15-21)33(4,25)30)27-19-12-13-26-24(29)14-19/h6-11,15,17,19,25,27H,5,12-14,16H2,1-4H3,(H,26,29)
• InChIKey: JTUVAMBJHDWNII-UHFFFAOYSA-N
• XLogP: 3.83
• TPSA: 119.43 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.69
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-N-(2-methylpropyl)-3-(methylsulfonimidoyl)-4-[(2-oxopiperidin-4-yl)amino]benzenesulfonamide?

The IUPAC name of N-(4-ethylphenyl)-N-(2-methylpropyl)-3-(methylsulfonimidoyl)-4-[(2-oxopiperidin-4-yl)amino]benzenesulfonamide (CID 121414064) is N-(4-ethylphenyl)-N-(2-methylpropyl)-3-(methylsulfonimidoyl)-4-[(2-oxopiperidin-4-yl)amino]benzenesulfonamide.

What is the SMILES notation for N-(4-ethylphenyl)-N-(2-methylpropyl)-3-(methylsulfonimidoyl)-4-[(2-oxopiperidin-4-yl)amino]benzenesulfonamide?

The canonical SMILES for N-(4-ethylphenyl)-N-(2-methylpropyl)-3-(methylsulfonimidoyl)-4-[(2-oxopiperidin-4-yl)amino]benzenesulfonamide is [H]N=S(C)(=O)c1cc(S(=O)(=O)N(CC(C)C)c2ccc(CC)cc2)ccc1NC1CCNC(=O)C1.

What is the InChIKey of N-(4-ethylphenyl)-N-(2-methylpropyl)-3-(methylsulfonimidoyl)-4-[(2-oxopiperidin-4-yl)amino]benzenesulfonamide?

The InChIKey is JTUVAMBJHDWNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O4S2/c1-5-18-6-8-20(9-7-18)28(16-17(2)3)34(31,32)21-10-11-22(23(15-21)33(4,25)30)27-19-12-13-26-24(29)14-19/h6-11,15,17,19,25,27H,5,12-14,16H2,1-4H3,(H,26,29).

What are the key properties of N-(4-ethylphenyl)-N-(2-methylpropyl)-3-(methylsulfonimidoyl)-4-[(2-oxopiperidin-4-yl)amino]benzenesulfonamide?

N-(4-ethylphenyl)-N-(2-methylpropyl)-3-(methylsulfonimidoyl)-4-[(2-oxopiperidin-4-yl)amino]benzenesulfonamide has a molecular weight of 506.69 g/mol, XLogP of 3.83, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-ethylphenyl)-N-(2-methylpropyl)-3-(methylsulfonimidoyl)-4-[(2-oxopiperidin-4-yl)amino]benzenesulfonamide is sourced from PubChem (CID 121414064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).