N-(1-benzofuran-5-ylmethyl)-1-pyridin-4-ylmethanamine;N-[4-(1-benzofuran-5-ylsulfonyl)butyl]-N-(2-imidazol-1-ylethyl)-1-benzofuran-5-sulfonamide;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

C115H140N14O18S5 — CID 157119653

About N-(1-benzofuran-5-ylmethyl)-1-pyridin-4-ylmethanamine;N-[4-(1-benzofuran-5-ylsulfonyl)butyl]-N-(2-imidazol-1-ylethyl)-1-benzofuran-5-sulfonamide;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-(1-benzofuran-5-ylmethyl)-1-pyridin-4-ylmethanamine;N-[4-(1-benzofuran-5-ylsulfonyl)butyl]-N-(2-imidazol-1-ylethyl)-1-benzofuran-5-sulfonamide;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 (PubChem CID 157119653) has the molecular formula C115H140N14O18S5 and a molecular weight of 2166.80 g/mol. Its IUPAC name is N-(1-benzofuran-5-ylmethyl)-1-pyridin-4-ylmethanamine;N-[4-(1-benzofuran-5-ylsulfonyl)butyl]-N-(2-imidazol-1-ylethyl)-1-benzofuran-5-sulfonamide;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.

Molecular Properties

• Compound Name: N-(1-benzofuran-5-ylmethyl)-1-pyridin-4-ylmethanamine;N-[4-(1-benzofuran-5-ylsulfonyl)butyl]-N-(2-imidazol-1-ylethyl)-1-benzofuran-5-sulfonamide;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
• PubChem CID: 157119653
• Molecular Formula: C115H140N14O18S5
• Molecular Weight: 2166.80 g/mol
• Exact Mass: 2164.91
• IUPAC Name: N-(1-benzofuran-5-ylmethyl)-1-pyridin-4-ylmethanamine;N-[4-(1-benzofuran-5-ylsulfonyl)butyl]-N-(2-imidazol-1-ylethyl)-1-benzofuran-5-sulfonamide;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
• SMILES: CC(=O)N(CCCN(Cc1ccncc1)S(=O)(=O)c1ccc2occc2c1)CC(C)C.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)(CCCCN(CCn1ccnc1)S(=O)(=O)c1ccc2occc2c1)c1ccc2occc2c1.c1cc(CNCc2ccc3occc3c2)ccn1
• InChI: InChI=1S/C27H37N3O4S.C25H25N3O6S2.C25H35N3O3S.C23H29N3O4S.C15H14N2O/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;29-35(30,22-3-5-24-20(17-22)7-14-33-24)16-2-1-10-28(13-12-27-11-9-26-19-27)36(31,32)23-4-6-25-21(18-23)8-15-34-25;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;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;1-2-15-14(5-8-18-15)9-13(1)11-17-10-12-3-6-16-7-4-12/h7-13,16-17,21H,6,14-15,18-20H2,1-5H3;3-9,11,14-15,17-19H,1-2,10,12-13,16H2;6-12,15-16,20-21H,5,13-14,17-19H2,1-4H3;5-11,14-15,18H,4,12-13,16-17H2,1-3H3;1-9,17H,10-11H2
• InChIKey: AHUXECBJHULVEI-UHFFFAOYSA-N
• XLogP: 21.70
• TPSA: 387.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 26
• Rotatable Bonds: 48
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2166.80
LogP ≤ 5	21.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	26

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)-1-pyridin-4-ylmethanamine;N-[4-(1-benzofuran-5-ylsulfonyl)butyl]-N-(2-imidazol-1-ylethyl)-1-benzofuran-5-sulfonamide;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?

The IUPAC name of N-(1-benzofuran-5-ylmethyl)-1-pyridin-4-ylmethanamine;N-[4-(1-benzofuran-5-ylsulfonyl)butyl]-N-(2-imidazol-1-ylethyl)-1-benzofuran-5-sulfonamide;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 (CID 157119653) is N-(1-benzofuran-5-ylmethyl)-1-pyridin-4-ylmethanamine;N-[4-(1-benzofuran-5-ylsulfonyl)butyl]-N-(2-imidazol-1-ylethyl)-1-benzofuran-5-sulfonamide;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.

What is the SMILES notation for N-(1-benzofuran-5-ylmethyl)-1-pyridin-4-ylmethanamine;N-[4-(1-benzofuran-5-ylsulfonyl)butyl]-N-(2-imidazol-1-ylethyl)-1-benzofuran-5-sulfonamide;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?

The canonical SMILES for N-(1-benzofuran-5-ylmethyl)-1-pyridin-4-ylmethanamine;N-[4-(1-benzofuran-5-ylsulfonyl)butyl]-N-(2-imidazol-1-ylethyl)-1-benzofuran-5-sulfonamide;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 is CC(=O)N(CCCN(Cc1ccncc1)S(=O)(=O)c1ccc2occc2c1)CC(C)C.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)(CCCCN(CCn1ccnc1)S(=O)(=O)c1ccc2occc2c1)c1ccc2occc2c1.c1cc(CNCc2ccc3occc3c2)ccn1.

What is the InChIKey of N-(1-benzofuran-5-ylmethyl)-1-pyridin-4-ylmethanamine;N-[4-(1-benzofuran-5-ylsulfonyl)butyl]-N-(2-imidazol-1-ylethyl)-1-benzofuran-5-sulfonamide;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?

The InChIKey is AHUXECBJHULVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O4S.C25H25N3O6S2.C25H35N3O3S.C23H29N3O4S.C15H14N2O/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;29-35(30,22-3-5-24-20(17-22)7-14-33-24)16-2-1-10-28(13-12-27-11-9-26-19-27)36(31,32)23-4-6-25-21(18-23)8-15-34-25;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;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;1-2-15-14(5-8-18-15)9-13(1)11-17-10-12-3-6-16-7-4-12/h7-13,16-17,21H,6,14-15,18-20H2,1-5H3;3-9,11,14-15,17-19H,1-2,10,12-13,16H2;6-12,15-16,20-21H,5,13-14,17-19H2,1-4H3;5-11,14-15,18H,4,12-13,16-17H2,1-3H3;1-9,17H,10-11H2.

What are the key properties of N-(1-benzofuran-5-ylmethyl)-1-pyridin-4-ylmethanamine;N-[4-(1-benzofuran-5-ylsulfonyl)butyl]-N-(2-imidazol-1-ylethyl)-1-benzofuran-5-sulfonamide;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-(1-benzofuran-5-ylmethyl)-1-pyridin-4-ylmethanamine;N-[4-(1-benzofuran-5-ylsulfonyl)butyl]-N-(2-imidazol-1-ylethyl)-1-benzofuran-5-sulfonamide;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 has a molecular weight of 2166.80 g/mol, XLogP of 21.70, 48 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-benzofuran-5-ylmethyl)-1-pyridin-4-ylmethanamine;N-[4-(1-benzofuran-5-ylsulfonyl)butyl]-N-(2-imidazol-1-ylethyl)-1-benzofuran-5-sulfonamide;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 is sourced from PubChem (CID 157119653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).