N-(1-benzofuran-5-ylmethyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;1-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-3-tert-butylurea;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(2-methylpropyl)acetamide;N-[3-[bis(2-methylpropyl)amino]propyl]-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;N-(4-phenylbutyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide

C144H171N17O22S6 — CID 158078511

About N-(1-benzofuran-5-ylmethyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;1-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-3-tert-butylurea;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(2-methylpropyl)acetamide;N-[3-[bis(2-methylpropyl)amino]propyl]-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;N-(4-phenylbutyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide

N-(1-benzofuran-5-ylmethyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;1-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-3-tert-butylurea;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(2-methylpropyl)acetamide;N-[3-[bis(2-methylpropyl)amino]propyl]-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;N-(4-phenylbutyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide (PubChem CID 158078511) has the molecular formula C144H171N17O22S6 and a molecular weight of 2684.45 g/mol. Its IUPAC name is N-(1-benzofuran-5-ylmethyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;1-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-3-tert-butylurea;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(2-methylpropyl)acetamide;N-[3-[bis(2-methylpropyl)amino]propyl]-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;N-(4-phenylbutyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide.

Molecular Properties

• Compound Name: N-(1-benzofuran-5-ylmethyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;1-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-3-tert-butylurea;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(2-methylpropyl)acetamide;N-[3-[bis(2-methylpropyl)amino]propyl]-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;N-(4-phenylbutyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide
• PubChem CID: 158078511
• Molecular Formula: C144H171N17O22S6
• Molecular Weight: 2684.45 g/mol
• Exact Mass: 2682.11
• IUPAC Name: N-(1-benzofuran-5-ylmethyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;1-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-3-tert-butylurea;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(2-methylpropyl)acetamide;N-[3-[bis(2-methylpropyl)amino]propyl]-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;N-(4-phenylbutyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide
• SMILES: CC(=O)N(CCCN(Cc1ccncc1)S(=O)(=O)c1ccc2occc2c1)CC(C)C.CC(C)(C)NC(=O)NCCCN(Cc1ccncc1)S(=O)(=O)c1ccc2occc2c1.CC(C)CN(CCCN(Cc1ccncc1)S(=O)(=O)c1ccc2occc2c1)C(=O)CC(C)(C)C.CC(C)CN(CCCN(Cc1ccncc1)S(=O)(=O)c1ccc2occc2c1)CC(C)C.O=S(=O)(c1ccc2occc2c1)N(CCCCc1ccccc1)Cc1ccncc1.O=S(=O)(c1ccc2occc2c1)N(Cc1ccncc1)Cc1ccc2occc2c1
• InChI: InChI=1S/C27H37N3O4S.C25H35N3O3S.C24H24N2O3S.C23H29N3O4S.C23H18N2O4S.C22H28N4O4S/c1-21(2)19-29(26(31)18-27(3,4)5)14-6-15-30(20-22-9-12-28-13-10-22)35(32,33)24-7-8-25-23(17-24)11-16-34-25;1-20(2)17-27(18-21(3)4)13-5-14-28(19-22-8-11-26-12-9-22)32(29,30)24-6-7-25-23(16-24)10-15-31-25;27-30(28,23-9-10-24-22(18-23)13-17-29-24)26(19-21-11-14-25-15-12-21)16-5-4-8-20-6-2-1-3-7-20;1-18(2)16-25(19(3)27)12-4-13-26(17-20-7-10-24-11-8-20)31(28,29)22-5-6-23-21(15-22)9-14-30-23;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;1-22(2,3)25-21(27)24-10-4-13-26(16-17-7-11-23-12-8-17)31(28,29)19-5-6-20-18(15-19)9-14-30-20/h7-13,16-17,21H,6,14-15,18-20H2,1-5H3;6-12,15-16,20-21H,5,13-14,17-19H2,1-4H3;1-3,6-7,9-15,17-18H,4-5,8,16,19H2;5-11,14-15,18H,4,12-13,16-17H2,1-3H3;1-14H,15-16H2;5-9,11-12,14-15H,4,10,13,16H2,1-3H3,(H2,24,25,27)
• InChIKey: FMQVTGBJRJTOQK-UHFFFAOYSA-N
• XLogP: 27.78
• TPSA: 478.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 29
• Rotatable Bonds: 56
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2684.45
LogP ≤ 5	27.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	29

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;1-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-3-tert-butylurea;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(2-methylpropyl)acetamide;N-[3-[bis(2-methylpropyl)amino]propyl]-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;N-(4-phenylbutyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide?

The IUPAC name of N-(1-benzofuran-5-ylmethyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;1-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-3-tert-butylurea;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(2-methylpropyl)acetamide;N-[3-[bis(2-methylpropyl)amino]propyl]-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;N-(4-phenylbutyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide (CID 158078511) is N-(1-benzofuran-5-ylmethyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;1-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-3-tert-butylurea;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(2-methylpropyl)acetamide;N-[3-[bis(2-methylpropyl)amino]propyl]-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;N-(4-phenylbutyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide.

What is the SMILES notation for N-(1-benzofuran-5-ylmethyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;1-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-3-tert-butylurea;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(2-methylpropyl)acetamide;N-[3-[bis(2-methylpropyl)amino]propyl]-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;N-(4-phenylbutyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide?

The canonical SMILES for N-(1-benzofuran-5-ylmethyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;1-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-3-tert-butylurea;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(2-methylpropyl)acetamide;N-[3-[bis(2-methylpropyl)amino]propyl]-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;N-(4-phenylbutyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide is CC(=O)N(CCCN(Cc1ccncc1)S(=O)(=O)c1ccc2occc2c1)CC(C)C.CC(C)(C)NC(=O)NCCCN(Cc1ccncc1)S(=O)(=O)c1ccc2occc2c1.CC(C)CN(CCCN(Cc1ccncc1)S(=O)(=O)c1ccc2occc2c1)C(=O)CC(C)(C)C.CC(C)CN(CCCN(Cc1ccncc1)S(=O)(=O)c1ccc2occc2c1)CC(C)C.O=S(=O)(c1ccc2occc2c1)N(CCCCc1ccccc1)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;1-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-3-tert-butylurea;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(2-methylpropyl)acetamide;N-[3-[bis(2-methylpropyl)amino]propyl]-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;N-(4-phenylbutyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide?

The InChIKey is FMQVTGBJRJTOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O4S.C25H35N3O3S.C24H24N2O3S.C23H29N3O4S.C23H18N2O4S.C22H28N4O4S/c1-21(2)19-29(26(31)18-27(3,4)5)14-6-15-30(20-22-9-12-28-13-10-22)35(32,33)24-7-8-25-23(17-24)11-16-34-25;1-20(2)17-27(18-21(3)4)13-5-14-28(19-22-8-11-26-12-9-22)32(29,30)24-6-7-25-23(16-24)10-15-31-25;27-30(28,23-9-10-24-22(18-23)13-17-29-24)26(19-21-11-14-25-15-12-21)16-5-4-8-20-6-2-1-3-7-20;1-18(2)16-25(19(3)27)12-4-13-26(17-20-7-10-24-11-8-20)31(28,29)22-5-6-23-21(15-22)9-14-30-23;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;1-22(2,3)25-21(27)24-10-4-13-26(16-17-7-11-23-12-8-17)31(28,29)19-5-6-20-18(15-19)9-14-30-20/h7-13,16-17,21H,6,14-15,18-20H2,1-5H3;6-12,15-16,20-21H,5,13-14,17-19H2,1-4H3;1-3,6-7,9-15,17-18H,4-5,8,16,19H2;5-11,14-15,18H,4,12-13,16-17H2,1-3H3;1-14H,15-16H2;5-9,11-12,14-15H,4,10,13,16H2,1-3H3,(H2,24,25,27).

What are the key properties of N-(1-benzofuran-5-ylmethyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;1-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-3-tert-butylurea;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(2-methylpropyl)acetamide;N-[3-[bis(2-methylpropyl)amino]propyl]-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;N-(4-phenylbutyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide?

N-(1-benzofuran-5-ylmethyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;1-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-3-tert-butylurea;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(2-methylpropyl)acetamide;N-[3-[bis(2-methylpropyl)amino]propyl]-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;N-(4-phenylbutyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide has a molecular weight of 2684.45 g/mol, XLogP of 27.78, 56 rotatable bonds, 2 hydrogen bond donors, and 29 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;1-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-3-tert-butylurea;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(2-methylpropyl)acetamide;N-[3-[bis(2-methylpropyl)amino]propyl]-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;N-(4-phenylbutyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 158078511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).