N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[7-(4-ethylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]butyl]-1,2-dimethylimidazole-4-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[7-(4-ethylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]butyl]-2,2-dimethylpropanamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[7-(4-ethylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]butyl]thiophene-2-carboxamide

C93H124N14O13S2 — CID 157468211

About N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[7-(4-ethylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]butyl]-1,2-dimethylimidazole-4-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[7-(4-ethylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]butyl]-2,2-dimethylpropanamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[7-(4-ethylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]butyl]thiophene-2-carboxamide

N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[7-(4-ethylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]butyl]-1,2-dimethylimidazole-4-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[7-(4-ethylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]butyl]-2,2-dimethylpropanamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[7-(4-ethylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]butyl]thiophene-2-carboxamide (PubChem CID 157468211) has the molecular formula C93H124N14O13S2 and a molecular weight of 1710.23 g/mol. Its IUPAC name is N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[7-(4-ethylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]butyl]-1,2-dimethylimidazole-4-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[7-(4-ethylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]butyl]-2,2-dimethylpropanamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[7-(4-ethylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]butyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[7-(4-ethylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]butyl]-1,2-dimethylimidazole-4-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[7-(4-ethylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]butyl]-2,2-dimethylpropanamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[7-(4-ethylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]butyl]thiophene-2-carboxamide
• PubChem CID: 157468211
• Molecular Formula: C93H124N14O13S2
• Molecular Weight: 1710.23 g/mol
• Exact Mass: 1708.89
• IUPAC Name: N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[7-(4-ethylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]butyl]-1,2-dimethylimidazole-4-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[7-(4-ethylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]butyl]-2,2-dimethylpropanamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[7-(4-ethylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]butyl]thiophene-2-carboxamide
• SMILES: CCN1CCN(c2cccc3c2CN([C@H](CCCNC(=O)C(C)(C)C)c2ccc(OC)c(OC)c2)C3=O)CC1.CCN1CCN(c2cccc3c2CN([C@H](CCCNC(=O)c2cccs2)c2ccc(OC)c(OC)c2)C3=O)CC1.CCN1CCN(c2cccc3c2CN([C@H](CCCNS(=O)(=O)c2cn(C)c(C)n2)c2ccc(OC)c(OC)c2)C3=O)CC1
• InChI: InChI=1S/C31H42N6O5S.C31H38N4O4S.C31H44N4O4/c1-6-35-15-17-36(18-16-35)27-10-7-9-24-25(27)20-37(31(24)38)26(23-12-13-28(41-4)29(19-23)42-5)11-8-14-32-43(39,40)30-21-34(3)22(2)33-30;1-4-33-15-17-34(18-16-33)26-9-5-8-23-24(26)21-35(31(23)37)25(22-12-13-27(38-2)28(20-22)39-3)10-6-14-32-30(36)29-11-7-19-40-29;1-7-33-16-18-34(19-17-33)26-11-8-10-23-24(26)21-35(29(23)36)25(12-9-15-32-30(37)31(2,3)4)22-13-14-27(38-5)28(20-22)39-6/h7,9-10,12-13,19,21,26,32H,6,8,11,14-18,20H2,1-5H3;5,7-9,11-13,19-20,25H,4,6,10,14-18,21H2,1-3H3,(H,32,36);8,10-11,13-14,20,25H,7,9,12,15-19,21H2,1-6H3,(H,32,37)/t26-;2*25-/m111/s1
• InChIKey: BUSLHLXGZVCWAX-HXYAIKCLSA-N
• XLogP: 12.64
• TPSA: 257.94 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 33
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1710.23
LogP ≤ 5	12.64
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[7-(4-ethylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]butyl]-1,2-dimethylimidazole-4-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[7-(4-ethylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]butyl]-2,2-dimethylpropanamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[7-(4-ethylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]butyl]thiophene-2-carboxamide?

The IUPAC name of N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[7-(4-ethylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]butyl]-1,2-dimethylimidazole-4-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[7-(4-ethylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]butyl]-2,2-dimethylpropanamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[7-(4-ethylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]butyl]thiophene-2-carboxamide (CID 157468211) is N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[7-(4-ethylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]butyl]-1,2-dimethylimidazole-4-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[7-(4-ethylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]butyl]-2,2-dimethylpropanamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[7-(4-ethylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]butyl]thiophene-2-carboxamide.

What is the SMILES notation for N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[7-(4-ethylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]butyl]-1,2-dimethylimidazole-4-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[7-(4-ethylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]butyl]-2,2-dimethylpropanamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[7-(4-ethylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]butyl]thiophene-2-carboxamide?

The canonical SMILES for N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[7-(4-ethylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]butyl]-1,2-dimethylimidazole-4-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[7-(4-ethylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]butyl]-2,2-dimethylpropanamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[7-(4-ethylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]butyl]thiophene-2-carboxamide is CCN1CCN(c2cccc3c2CN([C@H](CCCNC(=O)C(C)(C)C)c2ccc(OC)c(OC)c2)C3=O)CC1.CCN1CCN(c2cccc3c2CN([C@H](CCCNC(=O)c2cccs2)c2ccc(OC)c(OC)c2)C3=O)CC1.CCN1CCN(c2cccc3c2CN([C@H](CCCNS(=O)(=O)c2cn(C)c(C)n2)c2ccc(OC)c(OC)c2)C3=O)CC1.

What is the InChIKey of N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[7-(4-ethylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]butyl]-1,2-dimethylimidazole-4-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[7-(4-ethylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]butyl]-2,2-dimethylpropanamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[7-(4-ethylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]butyl]thiophene-2-carboxamide?

The InChIKey is BUSLHLXGZVCWAX-HXYAIKCLSA-N. The full InChI is InChI=1S/C31H42N6O5S.C31H38N4O4S.C31H44N4O4/c1-6-35-15-17-36(18-16-35)27-10-7-9-24-25(27)20-37(31(24)38)26(23-12-13-28(41-4)29(19-23)42-5)11-8-14-32-43(39,40)30-21-34(3)22(2)33-30;1-4-33-15-17-34(18-16-33)26-9-5-8-23-24(26)21-35(31(23)37)25(22-12-13-27(38-2)28(20-22)39-3)10-6-14-32-30(36)29-11-7-19-40-29;1-7-33-16-18-34(19-17-33)26-11-8-10-23-24(26)21-35(29(23)36)25(12-9-15-32-30(37)31(2,3)4)22-13-14-27(38-5)28(20-22)39-6/h7,9-10,12-13,19,21,26,32H,6,8,11,14-18,20H2,1-5H3;5,7-9,11-13,19-20,25H,4,6,10,14-18,21H2,1-3H3,(H,32,36);8,10-11,13-14,20,25H,7,9,12,15-19,21H2,1-6H3,(H,32,37)/t26-;2*25-/m111/s1.

What are the key properties of N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[7-(4-ethylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]butyl]-1,2-dimethylimidazole-4-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[7-(4-ethylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]butyl]-2,2-dimethylpropanamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[7-(4-ethylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]butyl]thiophene-2-carboxamide?

N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[7-(4-ethylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]butyl]-1,2-dimethylimidazole-4-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[7-(4-ethylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]butyl]-2,2-dimethylpropanamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[7-(4-ethylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]butyl]thiophene-2-carboxamide has a molecular weight of 1710.23 g/mol, XLogP of 12.64, 33 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[7-(4-ethylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]butyl]-1,2-dimethylimidazole-4-sulfonamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[7-(4-ethylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]butyl]-2,2-dimethylpropanamide;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[7-(4-ethylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]butyl]thiophene-2-carboxamide is sourced from PubChem (CID 157468211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).