1-[2-(benzenesulfonyl)ethyl]-6-[2-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-2-yl]-2-oxoethyl]benzo[cd]indol-2-one;1-[2-(benzenesulfonyl)ethyl]-6-[2-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-3-yl]-2-oxoethyl]benzo[cd]indol-2-one;N-[4-[3-[2-[1-(3-methoxypropyl)-2-oxobenzo[cd]indol-6-yl]acetyl]piperidin-1-yl]sulfonylphenyl]acetamide

C98H97N7O20S5 — CID 163938423

About 1-[2-(benzenesulfonyl)ethyl]-6-[2-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-2-yl]-2-oxoethyl]benzo[cd]indol-2-one;1-[2-(benzenesulfonyl)ethyl]-6-[2-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-3-yl]-2-oxoethyl]benzo[cd]indol-2-one;N-[4-[3-[2-[1-(3-methoxypropyl)-2-oxobenzo[cd]indol-6-yl]acetyl]piperidin-1-yl]sulfonylphenyl]acetamide

1-[2-(benzenesulfonyl)ethyl]-6-[2-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-2-yl]-2-oxoethyl]benzo[cd]indol-2-one;1-[2-(benzenesulfonyl)ethyl]-6-[2-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-3-yl]-2-oxoethyl]benzo[cd]indol-2-one;N-[4-[3-[2-[1-(3-methoxypropyl)-2-oxobenzo[cd]indol-6-yl]acetyl]piperidin-1-yl]sulfonylphenyl]acetamide (PubChem CID 163938423) has the molecular formula C98H97N7O20S5 and a molecular weight of 1853.22 g/mol. Its IUPAC name is 1-[2-(benzenesulfonyl)ethyl]-6-[2-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-2-yl]-2-oxoethyl]benzo[cd]indol-2-one;1-[2-(benzenesulfonyl)ethyl]-6-[2-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-3-yl]-2-oxoethyl]benzo[cd]indol-2-one;N-[4-[3-[2-[1-(3-methoxypropyl)-2-oxobenzo[cd]indol-6-yl]acetyl]piperidin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

• Compound Name: 1-[2-(benzenesulfonyl)ethyl]-6-[2-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-2-yl]-2-oxoethyl]benzo[cd]indol-2-one;1-[2-(benzenesulfonyl)ethyl]-6-[2-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-3-yl]-2-oxoethyl]benzo[cd]indol-2-one;N-[4-[3-[2-[1-(3-methoxypropyl)-2-oxobenzo[cd]indol-6-yl]acetyl]piperidin-1-yl]sulfonylphenyl]acetamide
• PubChem CID: 163938423
• Molecular Formula: C98H97N7O20S5
• Molecular Weight: 1853.22 g/mol
• Exact Mass: 1851.54
• IUPAC Name: 1-[2-(benzenesulfonyl)ethyl]-6-[2-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-2-yl]-2-oxoethyl]benzo[cd]indol-2-one;1-[2-(benzenesulfonyl)ethyl]-6-[2-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-3-yl]-2-oxoethyl]benzo[cd]indol-2-one;N-[4-[3-[2-[1-(3-methoxypropyl)-2-oxobenzo[cd]indol-6-yl]acetyl]piperidin-1-yl]sulfonylphenyl]acetamide
• SMILES: COCCCN1C(=O)c2cccc3c(CC(=O)C4CCCN(S(=O)(=O)c5ccc(NC(C)=O)cc5)C4)ccc1c23.O=C(Cc1ccc2c3c(cccc13)C(=O)N2CCS(=O)(=O)c1ccccc1)C1CCCCN1S(=O)(=O)c1ccc2c(c1)CCO2.O=C(Cc1ccc2c3c(cccc13)C(=O)N2CCS(=O)(=O)c1ccccc1)C1CCCN(S(=O)(=O)c2ccc3c(c2)CCO3)C1
• InChI: InChI=1S/2C34H32N2O7S2.C30H33N3O6S/c37-31(25-6-5-16-35(22-25)45(41,42)27-12-14-32-24(20-27)15-18-43-32)21-23-11-13-30-33-28(23)9-4-10-29(33)34(38)36(30)17-19-44(39,40)26-7-2-1-3-8-26;37-31(29-11-4-5-17-36(29)45(41,42)26-13-15-32-24(21-26)16-19-43-32)22-23-12-14-30-33-27(23)9-6-10-28(33)34(38)35(30)18-20-44(39,40)25-7-2-1-3-8-25;1-20(34)31-23-10-12-24(13-11-23)40(37,38)32-15-4-6-22(19-32)28(35)18-21-9-14-27-29-25(21)7-3-8-26(29)30(36)33(27)16-5-17-39-2/h1-4,7-14,20,25H,5-6,15-19,21-22H2;1-3,6-10,12-15,21,29H,4-5,11,16-20,22H2;3,7-14,22H,4-6,15-19H2,1-2H3,(H,31,34)
• InChIKey: ROVYHDNYWQPKBA-UHFFFAOYSA-N
• XLogP: 12.99
• TPSA: 349.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 20
• Rotatable Bonds: 28
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1853.22
LogP ≤ 5	12.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-(benzenesulfonyl)ethyl]-6-[2-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-2-yl]-2-oxoethyl]benzo[cd]indol-2-one;1-[2-(benzenesulfonyl)ethyl]-6-[2-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-3-yl]-2-oxoethyl]benzo[cd]indol-2-one;N-[4-[3-[2-[1-(3-methoxypropyl)-2-oxobenzo[cd]indol-6-yl]acetyl]piperidin-1-yl]sulfonylphenyl]acetamide?

The IUPAC name of 1-[2-(benzenesulfonyl)ethyl]-6-[2-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-2-yl]-2-oxoethyl]benzo[cd]indol-2-one;1-[2-(benzenesulfonyl)ethyl]-6-[2-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-3-yl]-2-oxoethyl]benzo[cd]indol-2-one;N-[4-[3-[2-[1-(3-methoxypropyl)-2-oxobenzo[cd]indol-6-yl]acetyl]piperidin-1-yl]sulfonylphenyl]acetamide (CID 163938423) is 1-[2-(benzenesulfonyl)ethyl]-6-[2-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-2-yl]-2-oxoethyl]benzo[cd]indol-2-one;1-[2-(benzenesulfonyl)ethyl]-6-[2-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-3-yl]-2-oxoethyl]benzo[cd]indol-2-one;N-[4-[3-[2-[1-(3-methoxypropyl)-2-oxobenzo[cd]indol-6-yl]acetyl]piperidin-1-yl]sulfonylphenyl]acetamide.

What is the SMILES notation for 1-[2-(benzenesulfonyl)ethyl]-6-[2-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-2-yl]-2-oxoethyl]benzo[cd]indol-2-one;1-[2-(benzenesulfonyl)ethyl]-6-[2-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-3-yl]-2-oxoethyl]benzo[cd]indol-2-one;N-[4-[3-[2-[1-(3-methoxypropyl)-2-oxobenzo[cd]indol-6-yl]acetyl]piperidin-1-yl]sulfonylphenyl]acetamide?

The canonical SMILES for 1-[2-(benzenesulfonyl)ethyl]-6-[2-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-2-yl]-2-oxoethyl]benzo[cd]indol-2-one;1-[2-(benzenesulfonyl)ethyl]-6-[2-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-3-yl]-2-oxoethyl]benzo[cd]indol-2-one;N-[4-[3-[2-[1-(3-methoxypropyl)-2-oxobenzo[cd]indol-6-yl]acetyl]piperidin-1-yl]sulfonylphenyl]acetamide is COCCCN1C(=O)c2cccc3c(CC(=O)C4CCCN(S(=O)(=O)c5ccc(NC(C)=O)cc5)C4)ccc1c23.O=C(Cc1ccc2c3c(cccc13)C(=O)N2CCS(=O)(=O)c1ccccc1)C1CCCCN1S(=O)(=O)c1ccc2c(c1)CCO2.O=C(Cc1ccc2c3c(cccc13)C(=O)N2CCS(=O)(=O)c1ccccc1)C1CCCN(S(=O)(=O)c2ccc3c(c2)CCO3)C1.

What is the InChIKey of 1-[2-(benzenesulfonyl)ethyl]-6-[2-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-2-yl]-2-oxoethyl]benzo[cd]indol-2-one;1-[2-(benzenesulfonyl)ethyl]-6-[2-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-3-yl]-2-oxoethyl]benzo[cd]indol-2-one;N-[4-[3-[2-[1-(3-methoxypropyl)-2-oxobenzo[cd]indol-6-yl]acetyl]piperidin-1-yl]sulfonylphenyl]acetamide?

The InChIKey is ROVYHDNYWQPKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C34H32N2O7S2.C30H33N3O6S/c37-31(25-6-5-16-35(22-25)45(41,42)27-12-14-32-24(20-27)15-18-43-32)21-23-11-13-30-33-28(23)9-4-10-29(33)34(38)36(30)17-19-44(39,40)26-7-2-1-3-8-26;37-31(29-11-4-5-17-36(29)45(41,42)26-13-15-32-24(21-26)16-19-43-32)22-23-12-14-30-33-27(23)9-6-10-28(33)34(38)35(30)18-20-44(39,40)25-7-2-1-3-8-25;1-20(34)31-23-10-12-24(13-11-23)40(37,38)32-15-4-6-22(19-32)28(35)18-21-9-14-27-29-25(21)7-3-8-26(29)30(36)33(27)16-5-17-39-2/h1-4,7-14,20,25H,5-6,15-19,21-22H2;1-3,6-10,12-15,21,29H,4-5,11,16-20,22H2;3,7-14,22H,4-6,15-19H2,1-2H3,(H,31,34).

What are the key properties of 1-[2-(benzenesulfonyl)ethyl]-6-[2-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-2-yl]-2-oxoethyl]benzo[cd]indol-2-one;1-[2-(benzenesulfonyl)ethyl]-6-[2-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-3-yl]-2-oxoethyl]benzo[cd]indol-2-one;N-[4-[3-[2-[1-(3-methoxypropyl)-2-oxobenzo[cd]indol-6-yl]acetyl]piperidin-1-yl]sulfonylphenyl]acetamide?

1-[2-(benzenesulfonyl)ethyl]-6-[2-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-2-yl]-2-oxoethyl]benzo[cd]indol-2-one;1-[2-(benzenesulfonyl)ethyl]-6-[2-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-3-yl]-2-oxoethyl]benzo[cd]indol-2-one;N-[4-[3-[2-[1-(3-methoxypropyl)-2-oxobenzo[cd]indol-6-yl]acetyl]piperidin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 1853.22 g/mol, XLogP of 12.99, 28 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(benzenesulfonyl)ethyl]-6-[2-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-2-yl]-2-oxoethyl]benzo[cd]indol-2-one;1-[2-(benzenesulfonyl)ethyl]-6-[2-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-3-yl]-2-oxoethyl]benzo[cd]indol-2-one;N-[4-[3-[2-[1-(3-methoxypropyl)-2-oxobenzo[cd]indol-6-yl]acetyl]piperidin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 163938423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).