N-(1-benzofuran-5-ylmethyl)-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 5-[bis(1-benzofuran-5-ylmethyl)amino]pentanoate;bis(N-(7,7-dimethyl-5-oxooctyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide);propan-2-yl 5-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]pentanoate

C151H163N13O27S6 — CID 162062125

About N-(1-benzofuran-5-ylmethyl)-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 5-[bis(1-benzofuran-5-ylmethyl)amino]pentanoate;bis(N-(7,7-dimethyl-5-oxooctyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide);propan-2-yl 5-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]pentanoate

N-(1-benzofuran-5-ylmethyl)-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 5-[bis(1-benzofuran-5-ylmethyl)amino]pentanoate;bis(N-(7,7-dimethyl-5-oxooctyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide);propan-2-yl 5-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]pentanoate (PubChem CID 162062125) has the molecular formula C151H163N13O27S6 and a molecular weight of 2784.43 g/mol. Its IUPAC name is N-(1-benzofuran-5-ylmethyl)-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 5-[bis(1-benzofuran-5-ylmethyl)amino]pentanoate;bis(N-(7,7-dimethyl-5-oxooctyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide);propan-2-yl 5-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]pentanoate.

Molecular Properties

• Compound Name: N-(1-benzofuran-5-ylmethyl)-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 5-[bis(1-benzofuran-5-ylmethyl)amino]pentanoate;bis(N-(7,7-dimethyl-5-oxooctyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide);propan-2-yl 5-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]pentanoate
• PubChem CID: 162062125
• Molecular Formula: C151H163N13O27S6
• Molecular Weight: 2784.43 g/mol
• Exact Mass: 2782.01
• IUPAC Name: N-(1-benzofuran-5-ylmethyl)-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 5-[bis(1-benzofuran-5-ylmethyl)amino]pentanoate;bis(N-(7,7-dimethyl-5-oxooctyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide);propan-2-yl 5-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]pentanoate
• SMILES: CC(C)(C)CC(=O)CCCCN(Cc1ccncc1)S(=O)(=O)c1ccc2occc2c1.CC(C)(C)CC(=O)CCCCN(Cc1ccncc1)S(=O)(=O)c1ccc2occc2c1.CC(C)(C)OC(=O)CCCCN(Cc1ccc2occc2c1)Cc1ccc2occc2c1.CC(C)OC(=O)CCCCN(Cc1ccncc1)S(=O)(=O)c1ccc2occc2c1.O=S(=O)(c1ccc2occc2c1)N(CCCN(Cc1ccncc1)S(=O)(=O)c1ccc2occc2c1)Cc1ccncc1.O=S(=O)(c1ccc2occc2c1)N(Cc1ccncc1)Cc1ccc2occc2c1
• InChI: InChI=1S/C31H28N4O6S2.C27H31NO4.2C24H30N2O4S.C23H18N2O4S.C22H26N2O5S/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;1-27(2,3)32-26(29)6-4-5-13-28(18-20-7-9-24-22(16-20)11-14-30-24)19-21-8-10-25-23(17-21)12-15-31-25;2*1-24(2,3)17-21(27)6-4-5-14-26(18-19-9-12-25-13-10-19)31(28,29)22-7-8-23-20(16-22)11-15-30-23;26-30(27,21-2-4-23-20(14-21)8-12-29-23)25(15-17-5-9-24-10-6-17)16-18-1-3-22-19(13-18)7-11-28-22;1-17(2)29-22(25)5-3-4-13-24(16-18-8-11-23-12-9-18)30(26,27)20-6-7-21-19(15-20)10-14-28-21/h2-15,18-21H,1,16-17,22-23H2;7-12,14-17H,4-6,13,18-19H2,1-3H3;2*7-13,15-16H,4-6,14,17-18H2,1-3H3;1-14H,15-16H2;6-12,14-15,17H,3-5,13,16H2,1-2H3
• InChIKey: YZZDKUDPNHZASA-UHFFFAOYSA-N
• XLogP: 31.63
• TPSA: 509.86 Ų
• H-Bond Acceptors: 34
• Rotatable Bonds: 57
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2784.43
LogP ≤ 5	31.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-5-ylmethyl)-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 5-[bis(1-benzofuran-5-ylmethyl)amino]pentanoate;bis(N-(7,7-dimethyl-5-oxooctyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide);propan-2-yl 5-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]pentanoate?

The IUPAC name of N-(1-benzofuran-5-ylmethyl)-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 5-[bis(1-benzofuran-5-ylmethyl)amino]pentanoate;bis(N-(7,7-dimethyl-5-oxooctyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide);propan-2-yl 5-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]pentanoate (CID 162062125) is N-(1-benzofuran-5-ylmethyl)-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 5-[bis(1-benzofuran-5-ylmethyl)amino]pentanoate;bis(N-(7,7-dimethyl-5-oxooctyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide);propan-2-yl 5-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]pentanoate.

What is the SMILES notation for N-(1-benzofuran-5-ylmethyl)-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 5-[bis(1-benzofuran-5-ylmethyl)amino]pentanoate;bis(N-(7,7-dimethyl-5-oxooctyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide);propan-2-yl 5-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]pentanoate?

The canonical SMILES for N-(1-benzofuran-5-ylmethyl)-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 5-[bis(1-benzofuran-5-ylmethyl)amino]pentanoate;bis(N-(7,7-dimethyl-5-oxooctyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide);propan-2-yl 5-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]pentanoate is CC(C)(C)CC(=O)CCCCN(Cc1ccncc1)S(=O)(=O)c1ccc2occc2c1.CC(C)(C)CC(=O)CCCCN(Cc1ccncc1)S(=O)(=O)c1ccc2occc2c1.CC(C)(C)OC(=O)CCCCN(Cc1ccc2occc2c1)Cc1ccc2occc2c1.CC(C)OC(=O)CCCCN(Cc1ccncc1)S(=O)(=O)c1ccc2occc2c1.O=S(=O)(c1ccc2occc2c1)N(CCCN(Cc1ccncc1)S(=O)(=O)c1ccc2occc2c1)Cc1ccncc1.O=S(=O)(c1ccc2occc2c1)N(Cc1ccncc1)Cc1ccc2occc2c1.

What is the InChIKey of N-(1-benzofuran-5-ylmethyl)-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 5-[bis(1-benzofuran-5-ylmethyl)amino]pentanoate;bis(N-(7,7-dimethyl-5-oxooctyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide);propan-2-yl 5-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]pentanoate?

The InChIKey is YZZDKUDPNHZASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N4O6S2.C27H31NO4.2C24H30N2O4S.C23H18N2O4S.C22H26N2O5S/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;1-27(2,3)32-26(29)6-4-5-13-28(18-20-7-9-24-22(16-20)11-14-30-24)19-21-8-10-25-23(17-21)12-15-31-25;2*1-24(2,3)17-21(27)6-4-5-14-26(18-19-9-12-25-13-10-19)31(28,29)22-7-8-23-20(16-22)11-15-30-23;26-30(27,21-2-4-23-20(14-21)8-12-29-23)25(15-17-5-9-24-10-6-17)16-18-1-3-22-19(13-18)7-11-28-22;1-17(2)29-22(25)5-3-4-13-24(16-18-8-11-23-12-9-18)30(26,27)20-6-7-21-19(15-20)10-14-28-21/h2-15,18-21H,1,16-17,22-23H2;7-12,14-17H,4-6,13,18-19H2,1-3H3;2*7-13,15-16H,4-6,14,17-18H2,1-3H3;1-14H,15-16H2;6-12,14-15,17H,3-5,13,16H2,1-2H3.

What are the key properties of N-(1-benzofuran-5-ylmethyl)-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 5-[bis(1-benzofuran-5-ylmethyl)amino]pentanoate;bis(N-(7,7-dimethyl-5-oxooctyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide);propan-2-yl 5-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]pentanoate?

N-(1-benzofuran-5-ylmethyl)-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 5-[bis(1-benzofuran-5-ylmethyl)amino]pentanoate;bis(N-(7,7-dimethyl-5-oxooctyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide);propan-2-yl 5-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]pentanoate has a molecular weight of 2784.43 g/mol, XLogP of 31.63, 57 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-benzofuran-5-ylmethyl)-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 5-[bis(1-benzofuran-5-ylmethyl)amino]pentanoate;bis(N-(7,7-dimethyl-5-oxooctyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide);propan-2-yl 5-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]pentanoate is sourced from PubChem (CID 162062125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).