N-[(3R)-3-(3,4-dimethoxyphenyl)-3-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]propyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide;N-[(3R)-3-(3,4-dimethoxyphenyl)-3-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]propyl]-1-phenylmethanesulfonamide;N-[(3R)-3-(3,4-dimethoxyphenyl)-3-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]propyl]pyridine-4-carboxamide

C111H123N15O17S2 — CID 158601549

About N-[(3R)-3-(3,4-dimethoxyphenyl)-3-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]propyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide;N-[(3R)-3-(3,4-dimethoxyphenyl)-3-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]propyl]-1-phenylmethanesulfonamide;N-[(3R)-3-(3,4-dimethoxyphenyl)-3-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]propyl]pyridine-4-carboxamide

N-[(3R)-3-(3,4-dimethoxyphenyl)-3-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]propyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide;N-[(3R)-3-(3,4-dimethoxyphenyl)-3-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]propyl]-1-phenylmethanesulfonamide;N-[(3R)-3-(3,4-dimethoxyphenyl)-3-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]propyl]pyridine-4-carboxamide (PubChem CID 158601549) has the molecular formula C111H123N15O17S2 and a molecular weight of 2003.43 g/mol. Its IUPAC name is N-[(3R)-3-(3,4-dimethoxyphenyl)-3-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]propyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide;N-[(3R)-3-(3,4-dimethoxyphenyl)-3-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]propyl]-1-phenylmethanesulfonamide;N-[(3R)-3-(3,4-dimethoxyphenyl)-3-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]propyl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(3R)-3-(3,4-dimethoxyphenyl)-3-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]propyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide;N-[(3R)-3-(3,4-dimethoxyphenyl)-3-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]propyl]-1-phenylmethanesulfonamide;N-[(3R)-3-(3,4-dimethoxyphenyl)-3-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]propyl]pyridine-4-carboxamide
• PubChem CID: 158601549
• Molecular Formula: C111H123N15O17S2
• Molecular Weight: 2003.43 g/mol
• Exact Mass: 2001.87
• IUPAC Name: N-[(3R)-3-(3,4-dimethoxyphenyl)-3-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]propyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide;N-[(3R)-3-(3,4-dimethoxyphenyl)-3-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]propyl]-1-phenylmethanesulfonamide;N-[(3R)-3-(3,4-dimethoxyphenyl)-3-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]propyl]pyridine-4-carboxamide
• SMILES: COc1ccc([C@@H](CCNC(=O)c2ccncc2)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC.COc1ccc([C@@H](CCNS(=O)(=O)Cc2ccccc2)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC.COc1ccc([C@@H](CCNS(=O)(=O)c2c(C)n[nH]c2C)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC
• InChI: InChI=1S/C38H42N4O6S.C37H39N5O5.C36H42N6O6S/c1-27(29-13-8-5-9-14-29)40-21-23-41(24-22-40)33-16-10-15-31-36(33)38(44)42(37(31)43)32(30-17-18-34(47-2)35(25-30)48-3)19-20-39-49(45,46)26-28-11-6-4-7-12-28;1-25(26-8-5-4-6-9-26)40-20-22-41(23-21-40)31-11-7-10-29-34(31)37(45)42(36(29)44)30(28-12-13-32(46-2)33(24-28)47-3)16-19-39-35(43)27-14-17-38-18-15-27;1-23-34(24(2)39-38-23)49(45,46)37-17-16-29(27-14-15-31(47-4)32(22-27)48-5)42-35(43)28-12-9-13-30(33(28)36(42)44)41-20-18-40(19-21-41)25(3)26-10-7-6-8-11-26/h4-18,25,27,32,39H,19-24,26H2,1-3H3;4-15,17-18,24-25,30H,16,19-23H2,1-3H3,(H,39,43);6-15,22,25,29,37H,16-21H2,1-5H3,(H,38,39)/t27-,32-;25-,30-;25-,29-/m111/s1
• InChIKey: HVRSYZPKRSYHRA-IXMPYSQVSA-N
• XLogP: 15.21
• TPSA: 349.97 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 36
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2003.43
LogP ≤ 5	15.21
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-(3,4-dimethoxyphenyl)-3-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]propyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide;N-[(3R)-3-(3,4-dimethoxyphenyl)-3-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]propyl]-1-phenylmethanesulfonamide;N-[(3R)-3-(3,4-dimethoxyphenyl)-3-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]propyl]pyridine-4-carboxamide?

The IUPAC name of N-[(3R)-3-(3,4-dimethoxyphenyl)-3-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]propyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide;N-[(3R)-3-(3,4-dimethoxyphenyl)-3-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]propyl]-1-phenylmethanesulfonamide;N-[(3R)-3-(3,4-dimethoxyphenyl)-3-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]propyl]pyridine-4-carboxamide (CID 158601549) is N-[(3R)-3-(3,4-dimethoxyphenyl)-3-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]propyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide;N-[(3R)-3-(3,4-dimethoxyphenyl)-3-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]propyl]-1-phenylmethanesulfonamide;N-[(3R)-3-(3,4-dimethoxyphenyl)-3-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]propyl]pyridine-4-carboxamide.

What is the SMILES notation for N-[(3R)-3-(3,4-dimethoxyphenyl)-3-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]propyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide;N-[(3R)-3-(3,4-dimethoxyphenyl)-3-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]propyl]-1-phenylmethanesulfonamide;N-[(3R)-3-(3,4-dimethoxyphenyl)-3-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]propyl]pyridine-4-carboxamide?

The canonical SMILES for N-[(3R)-3-(3,4-dimethoxyphenyl)-3-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]propyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide;N-[(3R)-3-(3,4-dimethoxyphenyl)-3-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]propyl]-1-phenylmethanesulfonamide;N-[(3R)-3-(3,4-dimethoxyphenyl)-3-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]propyl]pyridine-4-carboxamide is COc1ccc([C@@H](CCNC(=O)c2ccncc2)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC.COc1ccc([C@@H](CCNS(=O)(=O)Cc2ccccc2)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC.COc1ccc([C@@H](CCNS(=O)(=O)c2c(C)n[nH]c2C)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC.

What is the InChIKey of N-[(3R)-3-(3,4-dimethoxyphenyl)-3-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]propyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide;N-[(3R)-3-(3,4-dimethoxyphenyl)-3-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]propyl]-1-phenylmethanesulfonamide;N-[(3R)-3-(3,4-dimethoxyphenyl)-3-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]propyl]pyridine-4-carboxamide?

The InChIKey is HVRSYZPKRSYHRA-IXMPYSQVSA-N. The full InChI is InChI=1S/C38H42N4O6S.C37H39N5O5.C36H42N6O6S/c1-27(29-13-8-5-9-14-29)40-21-23-41(24-22-40)33-16-10-15-31-36(33)38(44)42(37(31)43)32(30-17-18-34(47-2)35(25-30)48-3)19-20-39-49(45,46)26-28-11-6-4-7-12-28;1-25(26-8-5-4-6-9-26)40-20-22-41(23-21-40)31-11-7-10-29-34(31)37(45)42(36(29)44)30(28-12-13-32(46-2)33(24-28)47-3)16-19-39-35(43)27-14-17-38-18-15-27;1-23-34(24(2)39-38-23)49(45,46)37-17-16-29(27-14-15-31(47-4)32(22-27)48-5)42-35(43)28-12-9-13-30(33(28)36(42)44)41-20-18-40(19-21-41)25(3)26-10-7-6-8-11-26/h4-18,25,27,32,39H,19-24,26H2,1-3H3;4-15,17-18,24-25,30H,16,19-23H2,1-3H3,(H,39,43);6-15,22,25,29,37H,16-21H2,1-5H3,(H,38,39)/t27-,32-;25-,30-;25-,29-/m111/s1.

What are the key properties of N-[(3R)-3-(3,4-dimethoxyphenyl)-3-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]propyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide;N-[(3R)-3-(3,4-dimethoxyphenyl)-3-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]propyl]-1-phenylmethanesulfonamide;N-[(3R)-3-(3,4-dimethoxyphenyl)-3-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]propyl]pyridine-4-carboxamide?

N-[(3R)-3-(3,4-dimethoxyphenyl)-3-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]propyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide;N-[(3R)-3-(3,4-dimethoxyphenyl)-3-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]propyl]-1-phenylmethanesulfonamide;N-[(3R)-3-(3,4-dimethoxyphenyl)-3-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]propyl]pyridine-4-carboxamide has a molecular weight of 2003.43 g/mol, XLogP of 15.21, 36 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R)-3-(3,4-dimethoxyphenyl)-3-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]propyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide;N-[(3R)-3-(3,4-dimethoxyphenyl)-3-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]propyl]-1-phenylmethanesulfonamide;N-[(3R)-3-(3,4-dimethoxyphenyl)-3-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]propyl]pyridine-4-carboxamide is sourced from PubChem (CID 158601549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).