N-[4-(1-benzofuran-5-ylsulfonyl)butyl]-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;tert-butyl N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(2-methylpropyl)carbamate;tert-butyl N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(pyridin-4-ylmethyl)carbamate;tert-butyl 7-[bis(1-benzofuran-5-ylmethyl)amino]heptanoate

C140H154N14O26S6 — CID 159673405

About N-[4-(1-benzofuran-5-ylsulfonyl)butyl]-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;tert-butyl N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(2-methylpropyl)carbamate;tert-butyl N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(pyridin-4-ylmethyl)carbamate;tert-butyl 7-[bis(1-benzofuran-5-ylmethyl)amino]heptanoate

N-[4-(1-benzofuran-5-ylsulfonyl)butyl]-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;tert-butyl N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(2-methylpropyl)carbamate;tert-butyl N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(pyridin-4-ylmethyl)carbamate;tert-butyl 7-[bis(1-benzofuran-5-ylmethyl)amino]heptanoate (PubChem CID 159673405) has the molecular formula C140H154N14O26S6 and a molecular weight of 2641.25 g/mol. Its IUPAC name is N-[4-(1-benzofuran-5-ylsulfonyl)butyl]-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;tert-butyl N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(2-methylpropyl)carbamate;tert-butyl N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(pyridin-4-ylmethyl)carbamate;tert-butyl 7-[bis(1-benzofuran-5-ylmethyl)amino]heptanoate.

Molecular Properties

• Compound Name: N-[4-(1-benzofuran-5-ylsulfonyl)butyl]-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;tert-butyl N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(2-methylpropyl)carbamate;tert-butyl N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(pyridin-4-ylmethyl)carbamate;tert-butyl 7-[bis(1-benzofuran-5-ylmethyl)amino]heptanoate
• PubChem CID: 159673405
• Molecular Formula: C140H154N14O26S6
• Molecular Weight: 2641.25 g/mol
• Exact Mass: 2638.95
• IUPAC Name: N-[4-(1-benzofuran-5-ylsulfonyl)butyl]-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;tert-butyl N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(2-methylpropyl)carbamate;tert-butyl N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(pyridin-4-ylmethyl)carbamate;tert-butyl 7-[bis(1-benzofuran-5-ylmethyl)amino]heptanoate
• SMILES: CC(C)(C)OC(=O)CCCCCCN(Cc1ccc2occc2c1)Cc1ccc2occc2c1.CC(C)(C)OC(=O)N(CCCN(Cc1ccncc1)S(=O)(=O)c1ccc2occc2c1)Cc1ccncc1.CC(C)CN(CCCN(Cc1ccncc1)S(=O)(=O)c1ccc2occc2c1)C(=O)OC(C)(C)C.O=S(=O)(CCCCN(Cc1ccncc1)S(=O)(=O)c1ccc2occc2c1)c1ccc2occc2c1.O=S(=O)(c1ccc2occc2c1)N(CCCN(Cc1ccncc1)S(=O)(=O)c1ccc2occc2c1)Cc1ccncc1
• InChI: InChI=1S/C31H28N4O6S2.C29H35NO4.C28H32N4O5S.C26H35N3O5S.C26H24N2O6S2/c36-42(37,28-2-4-30-26(20-28)10-18-40-30)34(22-24-6-12-32-13-7-24)16-1-17-35(23-25-8-14-33-15-9-25)43(38,39)29-3-5-31-27(21-29)11-19-41-31;1-29(2,3)34-28(31)8-6-4-5-7-15-30(20-22-9-11-26-24(18-22)13-16-32-26)21-23-10-12-27-25(19-23)14-17-33-27;1-28(2,3)37-27(33)31(20-22-7-12-29-13-8-22)16-4-17-32(21-23-9-14-30-15-10-23)38(34,35)25-5-6-26-24(19-25)11-18-36-26;1-20(2)18-28(25(30)34-26(3,4)5)14-6-15-29(19-21-9-12-27-13-10-21)35(31,32)23-7-8-24-22(17-23)11-16-33-24;29-35(30,23-3-5-25-21(17-23)9-14-33-25)16-2-1-13-28(19-20-7-11-27-12-8-20)36(31,32)24-4-6-26-22(18-24)10-15-34-26/h2-15,18-21H,1,16-17,22-23H2;9-14,16-19H,4-8,15,20-21H2,1-3H3;5-15,18-19H,4,16-17,20-21H2,1-3H3;7-13,16-17,20H,6,14-15,18-19H2,1-5H3;3-12,14-15,17-18H,1-2,13,16,19H2
• InChIKey: MUHCCXDETBTQBA-UHFFFAOYSA-N
• XLogP: 28.48
• TPSA: 492.12 Ų
• H-Bond Acceptors: 33
• Rotatable Bonds: 53
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2641.25
LogP ≤ 5	28.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-benzofuran-5-ylsulfonyl)butyl]-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;tert-butyl N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(2-methylpropyl)carbamate;tert-butyl N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(pyridin-4-ylmethyl)carbamate;tert-butyl 7-[bis(1-benzofuran-5-ylmethyl)amino]heptanoate?

The IUPAC name of N-[4-(1-benzofuran-5-ylsulfonyl)butyl]-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;tert-butyl N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(2-methylpropyl)carbamate;tert-butyl N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(pyridin-4-ylmethyl)carbamate;tert-butyl 7-[bis(1-benzofuran-5-ylmethyl)amino]heptanoate (CID 159673405) is N-[4-(1-benzofuran-5-ylsulfonyl)butyl]-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;tert-butyl N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(2-methylpropyl)carbamate;tert-butyl N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(pyridin-4-ylmethyl)carbamate;tert-butyl 7-[bis(1-benzofuran-5-ylmethyl)amino]heptanoate.

What is the SMILES notation for N-[4-(1-benzofuran-5-ylsulfonyl)butyl]-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;tert-butyl N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(2-methylpropyl)carbamate;tert-butyl N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(pyridin-4-ylmethyl)carbamate;tert-butyl 7-[bis(1-benzofuran-5-ylmethyl)amino]heptanoate?

The canonical SMILES for N-[4-(1-benzofuran-5-ylsulfonyl)butyl]-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;tert-butyl N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(2-methylpropyl)carbamate;tert-butyl N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(pyridin-4-ylmethyl)carbamate;tert-butyl 7-[bis(1-benzofuran-5-ylmethyl)amino]heptanoate is CC(C)(C)OC(=O)CCCCCCN(Cc1ccc2occc2c1)Cc1ccc2occc2c1.CC(C)(C)OC(=O)N(CCCN(Cc1ccncc1)S(=O)(=O)c1ccc2occc2c1)Cc1ccncc1.CC(C)CN(CCCN(Cc1ccncc1)S(=O)(=O)c1ccc2occc2c1)C(=O)OC(C)(C)C.O=S(=O)(CCCCN(Cc1ccncc1)S(=O)(=O)c1ccc2occc2c1)c1ccc2occc2c1.O=S(=O)(c1ccc2occc2c1)N(CCCN(Cc1ccncc1)S(=O)(=O)c1ccc2occc2c1)Cc1ccncc1.

What is the InChIKey of N-[4-(1-benzofuran-5-ylsulfonyl)butyl]-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;tert-butyl N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(2-methylpropyl)carbamate;tert-butyl N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(pyridin-4-ylmethyl)carbamate;tert-butyl 7-[bis(1-benzofuran-5-ylmethyl)amino]heptanoate?

The InChIKey is MUHCCXDETBTQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N4O6S2.C29H35NO4.C28H32N4O5S.C26H35N3O5S.C26H24N2O6S2/c36-42(37,28-2-4-30-26(20-28)10-18-40-30)34(22-24-6-12-32-13-7-24)16-1-17-35(23-25-8-14-33-15-9-25)43(38,39)29-3-5-31-27(21-29)11-19-41-31;1-29(2,3)34-28(31)8-6-4-5-7-15-30(20-22-9-11-26-24(18-22)13-16-32-26)21-23-10-12-27-25(19-23)14-17-33-27;1-28(2,3)37-27(33)31(20-22-7-12-29-13-8-22)16-4-17-32(21-23-9-14-30-15-10-23)38(34,35)25-5-6-26-24(19-25)11-18-36-26;1-20(2)18-28(25(30)34-26(3,4)5)14-6-15-29(19-21-9-12-27-13-10-21)35(31,32)23-7-8-24-22(17-23)11-16-33-24;29-35(30,23-3-5-25-21(17-23)9-14-33-25)16-2-1-13-28(19-20-7-11-27-12-8-20)36(31,32)24-4-6-26-22(18-24)10-15-34-26/h2-15,18-21H,1,16-17,22-23H2;9-14,16-19H,4-8,15,20-21H2,1-3H3;5-15,18-19H,4,16-17,20-21H2,1-3H3;7-13,16-17,20H,6,14-15,18-19H2,1-5H3;3-12,14-15,17-18H,1-2,13,16,19H2.

What are the key properties of N-[4-(1-benzofuran-5-ylsulfonyl)butyl]-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;tert-butyl N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(2-methylpropyl)carbamate;tert-butyl N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(pyridin-4-ylmethyl)carbamate;tert-butyl 7-[bis(1-benzofuran-5-ylmethyl)amino]heptanoate?

N-[4-(1-benzofuran-5-ylsulfonyl)butyl]-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;tert-butyl N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(2-methylpropyl)carbamate;tert-butyl N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(pyridin-4-ylmethyl)carbamate;tert-butyl 7-[bis(1-benzofuran-5-ylmethyl)amino]heptanoate has a molecular weight of 2641.25 g/mol, XLogP of 28.48, 53 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(1-benzofuran-5-ylsulfonyl)butyl]-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;tert-butyl N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(2-methylpropyl)carbamate;tert-butyl N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(pyridin-4-ylmethyl)carbamate;tert-butyl 7-[bis(1-benzofuran-5-ylmethyl)amino]heptanoate is sourced from PubChem (CID 159673405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).