2-[[2-[4-[2-[4-[[(3R)-3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]piperidin-1-yl]methyl]piperidin-1-yl]ethoxy]anilino]-5-methylpyrimidin-4-yl]amino]benzenesulfonamide

C43H50N10O7S — CID 175880123

About 2-[[2-[4-[2-[4-[[(3R)-3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]piperidin-1-yl]methyl]piperidin-1-yl]ethoxy]anilino]-5-methylpyrimidin-4-yl]amino]benzenesulfonamide

2-[[2-[4-[2-[4-[[(3R)-3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]piperidin-1-yl]methyl]piperidin-1-yl]ethoxy]anilino]-5-methylpyrimidin-4-yl]amino]benzenesulfonamide (PubChem CID 175880123) has the molecular formula C43H50N10O7S and a molecular weight of 851.00 g/mol. Its IUPAC name is 2-[[2-[4-[2-[4-[[(3R)-3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]piperidin-1-yl]methyl]piperidin-1-yl]ethoxy]anilino]-5-methylpyrimidin-4-yl]amino]benzenesulfonamide.

Molecular Properties

• Compound Name: 2-[[2-[4-[2-[4-[[(3R)-3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]piperidin-1-yl]methyl]piperidin-1-yl]ethoxy]anilino]-5-methylpyrimidin-4-yl]amino]benzenesulfonamide
• PubChem CID: 175880123
• Molecular Formula: C43H50N10O7S
• Molecular Weight: 851.00 g/mol
• Exact Mass: 850.36
• IUPAC Name: 2-[[2-[4-[2-[4-[[(3R)-3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]piperidin-1-yl]methyl]piperidin-1-yl]ethoxy]anilino]-5-methylpyrimidin-4-yl]amino]benzenesulfonamide
• SMILES: Cc1cnc(Nc2ccc(OCCN3CCC(CN4CCC[C@@H](Nc5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)CC3)cc2)nc1Nc1ccccc1S(N)(=O)=O
• InChI: InChI=1S/C43H50N10O7S/c1-27-24-45-43(50-39(27)48-35-6-2-3-7-37(35)61(44,58)59)47-29-8-11-32(12-9-29)60-22-21-51-19-16-28(17-20-51)25-52-18-4-5-31(26-52)46-30-10-13-33-34(23-30)42(57)53(41(33)56)36-14-15-38(54)49-40(36)55/h2-3,6-13,23-24,28,31,36,46H,4-5,14-22,25-26H2,1H3,(H2,44,58,59)(H,49,54,55)(H2,45,47,48,50)/t31-,36?/m1/s1
• InChIKey: QNWAQNKGCZKKDW-RACIXVTASA-N
• XLogP: 3.99
• TPSA: 221.29 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 14
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	851.00
LogP ≤ 5	3.99
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-[2-[4-[[(3R)-3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]piperidin-1-yl]methyl]piperidin-1-yl]ethoxy]anilino]-5-methylpyrimidin-4-yl]amino]benzenesulfonamide?

The IUPAC name of 2-[[2-[4-[2-[4-[[(3R)-3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]piperidin-1-yl]methyl]piperidin-1-yl]ethoxy]anilino]-5-methylpyrimidin-4-yl]amino]benzenesulfonamide (CID 175880123) is 2-[[2-[4-[2-[4-[[(3R)-3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]piperidin-1-yl]methyl]piperidin-1-yl]ethoxy]anilino]-5-methylpyrimidin-4-yl]amino]benzenesulfonamide.

What is the SMILES notation for 2-[[2-[4-[2-[4-[[(3R)-3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]piperidin-1-yl]methyl]piperidin-1-yl]ethoxy]anilino]-5-methylpyrimidin-4-yl]amino]benzenesulfonamide?

The canonical SMILES for 2-[[2-[4-[2-[4-[[(3R)-3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]piperidin-1-yl]methyl]piperidin-1-yl]ethoxy]anilino]-5-methylpyrimidin-4-yl]amino]benzenesulfonamide is Cc1cnc(Nc2ccc(OCCN3CCC(CN4CCC[C@@H](Nc5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)CC3)cc2)nc1Nc1ccccc1S(N)(=O)=O.

What is the InChIKey of 2-[[2-[4-[2-[4-[[(3R)-3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]piperidin-1-yl]methyl]piperidin-1-yl]ethoxy]anilino]-5-methylpyrimidin-4-yl]amino]benzenesulfonamide?

The InChIKey is QNWAQNKGCZKKDW-RACIXVTASA-N. The full InChI is InChI=1S/C43H50N10O7S/c1-27-24-45-43(50-39(27)48-35-6-2-3-7-37(35)61(44,58)59)47-29-8-11-32(12-9-29)60-22-21-51-19-16-28(17-20-51)25-52-18-4-5-31(26-52)46-30-10-13-33-34(23-30)42(57)53(41(33)56)36-14-15-38(54)49-40(36)55/h2-3,6-13,23-24,28,31,36,46H,4-5,14-22,25-26H2,1H3,(H2,44,58,59)(H,49,54,55)(H2,45,47,48,50)/t31-,36?/m1/s1.

What are the key properties of 2-[[2-[4-[2-[4-[[(3R)-3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]piperidin-1-yl]methyl]piperidin-1-yl]ethoxy]anilino]-5-methylpyrimidin-4-yl]amino]benzenesulfonamide?

2-[[2-[4-[2-[4-[[(3R)-3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]piperidin-1-yl]methyl]piperidin-1-yl]ethoxy]anilino]-5-methylpyrimidin-4-yl]amino]benzenesulfonamide has a molecular weight of 851.00 g/mol, XLogP of 3.99, 14 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[4-[2-[4-[[(3R)-3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]piperidin-1-yl]methyl]piperidin-1-yl]ethoxy]anilino]-5-methylpyrimidin-4-yl]amino]benzenesulfonamide is sourced from PubChem (CID 175880123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).