N-[2-[[4-[3-[2-[[2-[4-[1-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]piperidin-4-yl]piperidin-1-yl]-2-oxoethyl]-methylamino]-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4,5-dimethyl-1-methylsulfonylpyrrole-3-carboxamide

C52H56N10O11S2 — CID 156820204

About N-[2-[[4-[3-[2-[[2-[4-[1-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]piperidin-4-yl]piperidin-1-yl]-2-oxoethyl]-methylamino]-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4,5-dimethyl-1-methylsulfonylpyrrole-3-carboxamide

N-[2-[[4-[3-[2-[[2-[4-[1-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]piperidin-4-yl]piperidin-1-yl]-2-oxoethyl]-methylamino]-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4,5-dimethyl-1-methylsulfonylpyrrole-3-carboxamide (PubChem CID 156820204) has the molecular formula C52H56N10O11S2 and a molecular weight of 1061.21 g/mol. Its IUPAC name is N-[2-[[4-[3-[2-[[2-[4-[1-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]piperidin-4-yl]piperidin-1-yl]-2-oxoethyl]-methylamino]-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4,5-dimethyl-1-methylsulfonylpyrrole-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-[[4-[3-[2-[[2-[4-[1-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]piperidin-4-yl]piperidin-1-yl]-2-oxoethyl]-methylamino]-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4,5-dimethyl-1-methylsulfonylpyrrole-3-carboxamide
• PubChem CID: 156820204
• Molecular Formula: C52H56N10O11S2
• Molecular Weight: 1061.21 g/mol
• Exact Mass: 1060.36
• IUPAC Name: N-[2-[[4-[3-[2-[[2-[4-[1-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]piperidin-4-yl]piperidin-1-yl]-2-oxoethyl]-methylamino]-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4,5-dimethyl-1-methylsulfonylpyrrole-3-carboxamide
• SMILES: Cc1c(C(=O)NCC(=O)Nc2nc(-c3cccc(-c4ccnc(N(C)CC(=O)N5CCC(C6CCN(C(=O)COc7cccc8c7C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)CC5)c4)c3)cs2)cn(S(C)(=O)=O)c1C
• InChI: InChI=1S/C52H56N10O11S2/c1-30-31(2)61(75(4,71)72)26-38(30)48(67)54-25-44(64)57-52-55-39(29-74-52)36-8-5-7-34(23-36)35-13-18-53-42(24-35)58(3)27-45(65)59-19-14-32(15-20-59)33-16-21-60(22-17-33)46(66)28-73-41-10-6-9-37-47(41)51(70)62(50(37)69)40-11-12-43(63)56-49(40)68/h5-10,13,18,23-24,26,29,32-33,40H,11-12,14-17,19-22,25,27-28H2,1-4H3,(H,54,67)(H,55,57,64)(H,56,63,68)
• InChIKey: DXCYGDAVIVOBJI-UHFFFAOYSA-N
• XLogP: 3.86
• TPSA: 259.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 15
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1061.21
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-[3-[2-[[2-[4-[1-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]piperidin-4-yl]piperidin-1-yl]-2-oxoethyl]-methylamino]-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4,5-dimethyl-1-methylsulfonylpyrrole-3-carboxamide?

The IUPAC name of N-[2-[[4-[3-[2-[[2-[4-[1-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]piperidin-4-yl]piperidin-1-yl]-2-oxoethyl]-methylamino]-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4,5-dimethyl-1-methylsulfonylpyrrole-3-carboxamide (CID 156820204) is N-[2-[[4-[3-[2-[[2-[4-[1-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]piperidin-4-yl]piperidin-1-yl]-2-oxoethyl]-methylamino]-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4,5-dimethyl-1-methylsulfonylpyrrole-3-carboxamide.

What is the SMILES notation for N-[2-[[4-[3-[2-[[2-[4-[1-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]piperidin-4-yl]piperidin-1-yl]-2-oxoethyl]-methylamino]-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4,5-dimethyl-1-methylsulfonylpyrrole-3-carboxamide?

The canonical SMILES for N-[2-[[4-[3-[2-[[2-[4-[1-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]piperidin-4-yl]piperidin-1-yl]-2-oxoethyl]-methylamino]-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4,5-dimethyl-1-methylsulfonylpyrrole-3-carboxamide is Cc1c(C(=O)NCC(=O)Nc2nc(-c3cccc(-c4ccnc(N(C)CC(=O)N5CCC(C6CCN(C(=O)COc7cccc8c7C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)CC5)c4)c3)cs2)cn(S(C)(=O)=O)c1C.

What is the InChIKey of N-[2-[[4-[3-[2-[[2-[4-[1-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]piperidin-4-yl]piperidin-1-yl]-2-oxoethyl]-methylamino]-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4,5-dimethyl-1-methylsulfonylpyrrole-3-carboxamide?

The InChIKey is DXCYGDAVIVOBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H56N10O11S2/c1-30-31(2)61(75(4,71)72)26-38(30)48(67)54-25-44(64)57-52-55-39(29-74-52)36-8-5-7-34(23-36)35-13-18-53-42(24-35)58(3)27-45(65)59-19-14-32(15-20-59)33-16-21-60(22-17-33)46(66)28-73-41-10-6-9-37-47(41)51(70)62(50(37)69)40-11-12-43(63)56-49(40)68/h5-10,13,18,23-24,26,29,32-33,40H,11-12,14-17,19-22,25,27-28H2,1-4H3,(H,54,67)(H,55,57,64)(H,56,63,68).

What are the key properties of N-[2-[[4-[3-[2-[[2-[4-[1-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]piperidin-4-yl]piperidin-1-yl]-2-oxoethyl]-methylamino]-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4,5-dimethyl-1-methylsulfonylpyrrole-3-carboxamide?

N-[2-[[4-[3-[2-[[2-[4-[1-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]piperidin-4-yl]piperidin-1-yl]-2-oxoethyl]-methylamino]-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4,5-dimethyl-1-methylsulfonylpyrrole-3-carboxamide has a molecular weight of 1061.21 g/mol, XLogP of 3.86, 15 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[4-[3-[2-[[2-[4-[1-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]piperidin-4-yl]piperidin-1-yl]-2-oxoethyl]-methylamino]-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4,5-dimethyl-1-methylsulfonylpyrrole-3-carboxamide is sourced from PubChem (CID 156820204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).