N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-1-benzofuran-5-sulfonamide;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-3,3-dimethylbutanamide;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-(pyridin-4-ylmethyl)carbamate;tert-butyl N-[3-[bis(1-benzofuran-5-ylmethyl)amino]propyl]carbamate;propan-2-yl N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]carbamate

C154H167N19O30S7 — CID 157084077

About N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-1-benzofuran-5-sulfonamide;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-3,3-dimethylbutanamide;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-(pyridin-4-ylmethyl)carbamate;tert-butyl N-[3-[bis(1-benzofuran-5-ylmethyl)amino]propyl]carbamate;propan-2-yl N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]carbamate

N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-1-benzofuran-5-sulfonamide;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-3,3-dimethylbutanamide;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-(pyridin-4-ylmethyl)carbamate;tert-butyl N-[3-[bis(1-benzofuran-5-ylmethyl)amino]propyl]carbamate;propan-2-yl N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]carbamate (PubChem CID 157084077) has the molecular formula C154H167N19O30S7 and a molecular weight of 2988.60 g/mol. Its IUPAC name is N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-1-benzofuran-5-sulfonamide;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-3,3-dimethylbutanamide;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-(pyridin-4-ylmethyl)carbamate;tert-butyl N-[3-[bis(1-benzofuran-5-ylmethyl)amino]propyl]carbamate;propan-2-yl N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]carbamate.

Molecular Properties

• Compound Name: N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-1-benzofuran-5-sulfonamide;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-3,3-dimethylbutanamide;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-(pyridin-4-ylmethyl)carbamate;tert-butyl N-[3-[bis(1-benzofuran-5-ylmethyl)amino]propyl]carbamate;propan-2-yl N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]carbamate
• PubChem CID: 157084077
• Molecular Formula: C154H167N19O30S7
• Molecular Weight: 2988.60 g/mol
• Exact Mass: 2986.02
• IUPAC Name: N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-1-benzofuran-5-sulfonamide;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-3,3-dimethylbutanamide;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-(pyridin-4-ylmethyl)carbamate;tert-butyl N-[3-[bis(1-benzofuran-5-ylmethyl)amino]propyl]carbamate;propan-2-yl N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]carbamate
• SMILES: CC(C)(C)CC(=O)NCCCN(Cc1ccncc1)S(=O)(=O)c1ccc2occc2c1.CC(C)(C)OC(=O)N(CCCN(Cc1ccncc1)S(=O)(=O)c1ccc2occc2c1)Cc1ccncc1.CC(C)(C)OC(=O)NCCCN(Cc1ccc2occc2c1)Cc1ccc2occc2c1.CC(C)OC(=O)NCCCN(Cc1ccncc1)S(=O)(=O)c1ccc2occc2c1.O=S(=O)(NCCCN(Cc1ccncc1)S(=O)(=O)c1ccc2occc2c1)c1ccc2occc2c1.O=S(=O)(c1ccc2occc2c1)N(CCCN(Cc1ccncc1)S(=O)(=O)c1ccc2occc2c1)Cc1ccncc1
• InChI: InChI=1S/C31H28N4O6S2.C28H32N4O5S.C26H30N2O4.C25H23N3O6S2.C23H29N3O4S.C21H25N3O5S/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;1-28(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;1-26(2,3)32-25(29)27-11-4-12-28(17-19-5-7-23-21(15-19)9-13-30-23)18-20-6-8-24-22(16-20)10-14-31-24;29-35(30,22-2-4-24-20(16-22)8-14-33-24)27-10-1-13-28(18-19-6-11-26-12-7-19)36(31,32)23-3-5-25-21(17-23)9-15-34-25;1-23(2,3)16-22(27)25-10-4-13-26(17-18-7-11-24-12-8-18)31(28,29)20-5-6-21-19(15-20)9-14-30-21;1-16(2)29-21(25)23-9-3-12-24(15-17-6-10-22-11-7-17)30(26,27)19-4-5-20-18(14-19)8-13-28-20/h2-15,18-21H,1,16-17,22-23H2;5-15,18-19H,4,16-17,20-21H2,1-3H3;5-10,13-16H,4,11-12,17-18H2,1-3H3,(H,27,29);2-9,11-12,14-17,27H,1,10,13,18H2;5-9,11-12,14-15H,4,10,13,16-17H2,1-3H3,(H,25,27);4-8,10-11,13-14,16H,3,9,12,15H2,1-2H3,(H,23,25)
• InChIKey: ADWRDPLKDLAHAI-UHFFFAOYSA-N
• XLogP: 28.42
• TPSA: 617.48 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 38
• Rotatable Bonds: 58
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2988.60
LogP ≤ 5	28.42
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	38

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-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-1-benzofuran-5-sulfonamide;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-3,3-dimethylbutanamide;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-(pyridin-4-ylmethyl)carbamate;tert-butyl N-[3-[bis(1-benzofuran-5-ylmethyl)amino]propyl]carbamate;propan-2-yl N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]carbamate?

The IUPAC name of N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-1-benzofuran-5-sulfonamide;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-3,3-dimethylbutanamide;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-(pyridin-4-ylmethyl)carbamate;tert-butyl N-[3-[bis(1-benzofuran-5-ylmethyl)amino]propyl]carbamate;propan-2-yl N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]carbamate (CID 157084077) is N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-1-benzofuran-5-sulfonamide;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-3,3-dimethylbutanamide;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-(pyridin-4-ylmethyl)carbamate;tert-butyl N-[3-[bis(1-benzofuran-5-ylmethyl)amino]propyl]carbamate;propan-2-yl N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]carbamate.

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

The canonical SMILES for N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-1-benzofuran-5-sulfonamide;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-3,3-dimethylbutanamide;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-(pyridin-4-ylmethyl)carbamate;tert-butyl N-[3-[bis(1-benzofuran-5-ylmethyl)amino]propyl]carbamate;propan-2-yl N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]carbamate is CC(C)(C)CC(=O)NCCCN(Cc1ccncc1)S(=O)(=O)c1ccc2occc2c1.CC(C)(C)OC(=O)N(CCCN(Cc1ccncc1)S(=O)(=O)c1ccc2occc2c1)Cc1ccncc1.CC(C)(C)OC(=O)NCCCN(Cc1ccc2occc2c1)Cc1ccc2occc2c1.CC(C)OC(=O)NCCCN(Cc1ccncc1)S(=O)(=O)c1ccc2occc2c1.O=S(=O)(NCCCN(Cc1ccncc1)S(=O)(=O)c1ccc2occc2c1)c1ccc2occc2c1.O=S(=O)(c1ccc2occc2c1)N(CCCN(Cc1ccncc1)S(=O)(=O)c1ccc2occc2c1)Cc1ccncc1.

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

The InChIKey is ADWRDPLKDLAHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N4O6S2.C28H32N4O5S.C26H30N2O4.C25H23N3O6S2.C23H29N3O4S.C21H25N3O5S/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;1-28(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;1-26(2,3)32-25(29)27-11-4-12-28(17-19-5-7-23-21(15-19)9-13-30-23)18-20-6-8-24-22(16-20)10-14-31-24;29-35(30,22-2-4-24-20(16-22)8-14-33-24)27-10-1-13-28(18-19-6-11-26-12-7-19)36(31,32)23-3-5-25-21(17-23)9-15-34-25;1-23(2,3)16-22(27)25-10-4-13-26(17-18-7-11-24-12-8-18)31(28,29)20-5-6-21-19(15-20)9-14-30-21;1-16(2)29-21(25)23-9-3-12-24(15-17-6-10-22-11-7-17)30(26,27)19-4-5-20-18(14-19)8-13-28-20/h2-15,18-21H,1,16-17,22-23H2;5-15,18-19H,4,16-17,20-21H2,1-3H3;5-10,13-16H,4,11-12,17-18H2,1-3H3,(H,27,29);2-9,11-12,14-17,27H,1,10,13,18H2;5-9,11-12,14-15H,4,10,13,16-17H2,1-3H3,(H,25,27);4-8,10-11,13-14,16H,3,9,12,15H2,1-2H3,(H,23,25).

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

N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-1-benzofuran-5-sulfonamide;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-3,3-dimethylbutanamide;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-(pyridin-4-ylmethyl)carbamate;tert-butyl N-[3-[bis(1-benzofuran-5-ylmethyl)amino]propyl]carbamate;propan-2-yl N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]carbamate has a molecular weight of 2988.60 g/mol, XLogP of 28.42, 58 rotatable bonds, 4 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-1-benzofuran-5-sulfonamide;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-3,3-dimethylbutanamide;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-(pyridin-4-ylmethyl)carbamate;tert-butyl N-[3-[bis(1-benzofuran-5-ylmethyl)amino]propyl]carbamate;propan-2-yl N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]carbamate is sourced from PubChem (CID 157084077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).