N-[2-[[4-[3-[2-[[2-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]pentylamino]-2-oxoethyl]-methylamino]piperidin-4-yl]phenyl]-1,3-thiazolidin-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrolidine-3-carboxamide

C43H58N10O9S2 — CID 156820720

About N-[2-[[4-[3-[2-[[2-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]pentylamino]-2-oxoethyl]-methylamino]piperidin-4-yl]phenyl]-1,3-thiazolidin-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrolidine-3-carboxamide

N-[2-[[4-[3-[2-[[2-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]pentylamino]-2-oxoethyl]-methylamino]piperidin-4-yl]phenyl]-1,3-thiazolidin-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrolidine-3-carboxamide (PubChem CID 156820720) has the molecular formula C43H58N10O9S2 and a molecular weight of 923.13 g/mol. Its IUPAC name is N-[2-[[4-[3-[2-[[2-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]pentylamino]-2-oxoethyl]-methylamino]piperidin-4-yl]phenyl]-1,3-thiazolidin-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-[[4-[3-[2-[[2-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]pentylamino]-2-oxoethyl]-methylamino]piperidin-4-yl]phenyl]-1,3-thiazolidin-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrolidine-3-carboxamide
• PubChem CID: 156820720
• Molecular Formula: C43H58N10O9S2
• Molecular Weight: 923.13 g/mol
• Exact Mass: 922.38
• IUPAC Name: N-[2-[[4-[3-[2-[[2-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]pentylamino]-2-oxoethyl]-methylamino]piperidin-4-yl]phenyl]-1,3-thiazolidin-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrolidine-3-carboxamide
• SMILES: CN(CC(=O)NCCCCCNc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O)C1CC(c2cccc(C3CSC(NC(=O)CNC(=O)C4CCN(S(C)(=O)=O)C4)N3)c2)CCN1
• InChI: InChI=1S/C43H58N10O9S2/c1-51(24-38(56)46-16-5-3-4-15-44-30-9-10-31-32(21-30)42(60)53(41(31)59)34-11-12-36(54)49-40(34)58)35-20-27(13-17-45-35)26-7-6-8-28(19-26)33-25-63-43(48-33)50-37(55)22-47-39(57)29-14-18-52(23-29)64(2,61)62/h6-10,19,21,27,29,33-35,43-45,48H,3-5,11-18,20,22-25H2,1-2H3,(H,46,56)(H,47,57)(H,50,55)(H,49,54,58)
• InChIKey: WUYUDMZQRXZODR-UHFFFAOYSA-N
• XLogP: 0.39
• TPSA: 247.56 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 14
• Rotatable Bonds: 18
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	923.13
LogP ≤ 5	0.39
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-[3-[2-[[2-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]pentylamino]-2-oxoethyl]-methylamino]piperidin-4-yl]phenyl]-1,3-thiazolidin-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrolidine-3-carboxamide?

The IUPAC name of N-[2-[[4-[3-[2-[[2-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]pentylamino]-2-oxoethyl]-methylamino]piperidin-4-yl]phenyl]-1,3-thiazolidin-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrolidine-3-carboxamide (CID 156820720) is N-[2-[[4-[3-[2-[[2-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]pentylamino]-2-oxoethyl]-methylamino]piperidin-4-yl]phenyl]-1,3-thiazolidin-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrolidine-3-carboxamide.

What is the SMILES notation for N-[2-[[4-[3-[2-[[2-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]pentylamino]-2-oxoethyl]-methylamino]piperidin-4-yl]phenyl]-1,3-thiazolidin-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrolidine-3-carboxamide?

The canonical SMILES for N-[2-[[4-[3-[2-[[2-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]pentylamino]-2-oxoethyl]-methylamino]piperidin-4-yl]phenyl]-1,3-thiazolidin-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrolidine-3-carboxamide is CN(CC(=O)NCCCCCNc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O)C1CC(c2cccc(C3CSC(NC(=O)CNC(=O)C4CCN(S(C)(=O)=O)C4)N3)c2)CCN1.

What is the InChIKey of N-[2-[[4-[3-[2-[[2-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]pentylamino]-2-oxoethyl]-methylamino]piperidin-4-yl]phenyl]-1,3-thiazolidin-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrolidine-3-carboxamide?

The InChIKey is WUYUDMZQRXZODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H58N10O9S2/c1-51(24-38(56)46-16-5-3-4-15-44-30-9-10-31-32(21-30)42(60)53(41(31)59)34-11-12-36(54)49-40(34)58)35-20-27(13-17-45-35)26-7-6-8-28(19-26)33-25-63-43(48-33)50-37(55)22-47-39(57)29-14-18-52(23-29)64(2,61)62/h6-10,19,21,27,29,33-35,43-45,48H,3-5,11-18,20,22-25H2,1-2H3,(H,46,56)(H,47,57)(H,50,55)(H,49,54,58).

What are the key properties of N-[2-[[4-[3-[2-[[2-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]pentylamino]-2-oxoethyl]-methylamino]piperidin-4-yl]phenyl]-1,3-thiazolidin-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrolidine-3-carboxamide?

N-[2-[[4-[3-[2-[[2-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]pentylamino]-2-oxoethyl]-methylamino]piperidin-4-yl]phenyl]-1,3-thiazolidin-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrolidine-3-carboxamide has a molecular weight of 923.13 g/mol, XLogP of 0.39, 18 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[4-[3-[2-[[2-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]pentylamino]-2-oxoethyl]-methylamino]piperidin-4-yl]phenyl]-1,3-thiazolidin-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrolidine-3-carboxamide is sourced from PubChem (CID 156820720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).