N-(1-benzofuran-5-ylmethyl)pyridin-4-amine;N-[3-[1-benzofuran-5-ylsulfonyl(2-imidazol-1-ylethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-[3-[1-benzofuran-5-ylsulfonyl(2-imidazol-1-ylethyl)amino]propyl]-N-(2-imidazol-1-ylethyl)-1-benzofuran-5-sulfonamide;N-[3-[1-benzofuran-5-ylsulfonyl(2-methylpropyl)amino]propyl]-N-(2-imidazol-1-ylethyl)-1-benzofuran-5-sulfonamide;N-(pyridin-4-ylmethyl)-N-(6,6,6-trifluoro-5-oxohexyl)-1-benzofuran-5-sulfonamide

C117H131F3N18O21S6 — CID 160590621

About N-(1-benzofuran-5-ylmethyl)pyridin-4-amine;N-[3-[1-benzofuran-5-ylsulfonyl(2-imidazol-1-ylethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-[3-[1-benzofuran-5-ylsulfonyl(2-imidazol-1-ylethyl)amino]propyl]-N-(2-imidazol-1-ylethyl)-1-benzofuran-5-sulfonamide;N-[3-[1-benzofuran-5-ylsulfonyl(2-methylpropyl)amino]propyl]-N-(2-imidazol-1-ylethyl)-1-benzofuran-5-sulfonamide;N-(pyridin-4-ylmethyl)-N-(6,6,6-trifluoro-5-oxohexyl)-1-benzofuran-5-sulfonamide

N-(1-benzofuran-5-ylmethyl)pyridin-4-amine;N-[3-[1-benzofuran-5-ylsulfonyl(2-imidazol-1-ylethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-[3-[1-benzofuran-5-ylsulfonyl(2-imidazol-1-ylethyl)amino]propyl]-N-(2-imidazol-1-ylethyl)-1-benzofuran-5-sulfonamide;N-[3-[1-benzofuran-5-ylsulfonyl(2-methylpropyl)amino]propyl]-N-(2-imidazol-1-ylethyl)-1-benzofuran-5-sulfonamide;N-(pyridin-4-ylmethyl)-N-(6,6,6-trifluoro-5-oxohexyl)-1-benzofuran-5-sulfonamide (PubChem CID 160590621) has the molecular formula C117H131F3N18O21S6 and a molecular weight of 2374.84 g/mol. Its IUPAC name is N-(1-benzofuran-5-ylmethyl)pyridin-4-amine;N-[3-[1-benzofuran-5-ylsulfonyl(2-imidazol-1-ylethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-[3-[1-benzofuran-5-ylsulfonyl(2-imidazol-1-ylethyl)amino]propyl]-N-(2-imidazol-1-ylethyl)-1-benzofuran-5-sulfonamide;N-[3-[1-benzofuran-5-ylsulfonyl(2-methylpropyl)amino]propyl]-N-(2-imidazol-1-ylethyl)-1-benzofuran-5-sulfonamide;N-(pyridin-4-ylmethyl)-N-(6,6,6-trifluoro-5-oxohexyl)-1-benzofuran-5-sulfonamide.

Molecular Properties

• Compound Name: N-(1-benzofuran-5-ylmethyl)pyridin-4-amine;N-[3-[1-benzofuran-5-ylsulfonyl(2-imidazol-1-ylethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-[3-[1-benzofuran-5-ylsulfonyl(2-imidazol-1-ylethyl)amino]propyl]-N-(2-imidazol-1-ylethyl)-1-benzofuran-5-sulfonamide;N-[3-[1-benzofuran-5-ylsulfonyl(2-methylpropyl)amino]propyl]-N-(2-imidazol-1-ylethyl)-1-benzofuran-5-sulfonamide;N-(pyridin-4-ylmethyl)-N-(6,6,6-trifluoro-5-oxohexyl)-1-benzofuran-5-sulfonamide
• PubChem CID: 160590621
• Molecular Formula: C117H131F3N18O21S6
• Molecular Weight: 2374.84 g/mol
• Exact Mass: 2372.80
• IUPAC Name: N-(1-benzofuran-5-ylmethyl)pyridin-4-amine;N-[3-[1-benzofuran-5-ylsulfonyl(2-imidazol-1-ylethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-[3-[1-benzofuran-5-ylsulfonyl(2-imidazol-1-ylethyl)amino]propyl]-N-(2-imidazol-1-ylethyl)-1-benzofuran-5-sulfonamide;N-[3-[1-benzofuran-5-ylsulfonyl(2-methylpropyl)amino]propyl]-N-(2-imidazol-1-ylethyl)-1-benzofuran-5-sulfonamide;N-(pyridin-4-ylmethyl)-N-(6,6,6-trifluoro-5-oxohexyl)-1-benzofuran-5-sulfonamide
• SMILES: CC(C)CN(CCCN(CCn1ccnc1)S(=O)(=O)c1ccc2occc2c1)C(=O)CC(C)(C)C.CC(C)CN(CCCN(CCn1ccnc1)S(=O)(=O)c1ccc2occc2c1)S(=O)(=O)c1ccc2occc2c1.O=C(CCCCN(Cc1ccncc1)S(=O)(=O)c1ccc2occc2c1)C(F)(F)F.O=S(=O)(c1ccc2occc2c1)N(CCCN(CCn1ccnc1)S(=O)(=O)c1ccc2occc2c1)CCn1ccnc1.c1cc(NCc2ccc3occc3c2)ccn1
• InChI: InChI=1S/C29H30N6O6S2.C28H32N4O6S2.C26H38N4O4S.C20H19F3N2O4S.C14H12N2O/c36-42(37,26-2-4-28-24(20-26)6-18-40-28)34(16-14-32-12-8-30-22-32)10-1-11-35(17-15-33-13-9-31-23-33)43(38,39)27-3-5-29-25(21-27)7-19-41-29;1-22(2)20-32(40(35,36)26-5-7-28-24(19-26)9-17-38-28)12-3-11-31(15-14-30-13-10-29-21-30)39(33,34)25-4-6-27-23(18-25)8-16-37-27;1-21(2)19-29(25(31)18-26(3,4)5)11-6-12-30(15-14-28-13-10-27-20-28)35(32,33)23-7-8-24-22(17-23)9-16-34-24;21-20(22,23)19(26)3-1-2-11-25(14-15-6-9-24-10-7-15)30(27,28)17-4-5-18-16(13-17)8-12-29-18;1-2-14-12(5-8-17-14)9-11(1)10-16-13-3-6-15-7-4-13/h2-9,12-13,18-23H,1,10-11,14-17H2;4-10,13,16-19,21-22H,3,11-12,14-15,20H2,1-2H3;7-10,13,16-17,20-21H,6,11-12,14-15,18-19H2,1-5H3;4-10,12-13H,1-3,11,14H2;1-9H,10H2,(H,15,16)
• InChIKey: RCYPECOKXSUHMN-UHFFFAOYSA-N
• XLogP: 21.24
• TPSA: 462.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 32
• Rotatable Bonds: 51
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2374.84
LogP ≤ 5	21.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	32

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)pyridin-4-amine;N-[3-[1-benzofuran-5-ylsulfonyl(2-imidazol-1-ylethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-[3-[1-benzofuran-5-ylsulfonyl(2-imidazol-1-ylethyl)amino]propyl]-N-(2-imidazol-1-ylethyl)-1-benzofuran-5-sulfonamide;N-[3-[1-benzofuran-5-ylsulfonyl(2-methylpropyl)amino]propyl]-N-(2-imidazol-1-ylethyl)-1-benzofuran-5-sulfonamide;N-(pyridin-4-ylmethyl)-N-(6,6,6-trifluoro-5-oxohexyl)-1-benzofuran-5-sulfonamide?

The IUPAC name of N-(1-benzofuran-5-ylmethyl)pyridin-4-amine;N-[3-[1-benzofuran-5-ylsulfonyl(2-imidazol-1-ylethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-[3-[1-benzofuran-5-ylsulfonyl(2-imidazol-1-ylethyl)amino]propyl]-N-(2-imidazol-1-ylethyl)-1-benzofuran-5-sulfonamide;N-[3-[1-benzofuran-5-ylsulfonyl(2-methylpropyl)amino]propyl]-N-(2-imidazol-1-ylethyl)-1-benzofuran-5-sulfonamide;N-(pyridin-4-ylmethyl)-N-(6,6,6-trifluoro-5-oxohexyl)-1-benzofuran-5-sulfonamide (CID 160590621) is N-(1-benzofuran-5-ylmethyl)pyridin-4-amine;N-[3-[1-benzofuran-5-ylsulfonyl(2-imidazol-1-ylethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-[3-[1-benzofuran-5-ylsulfonyl(2-imidazol-1-ylethyl)amino]propyl]-N-(2-imidazol-1-ylethyl)-1-benzofuran-5-sulfonamide;N-[3-[1-benzofuran-5-ylsulfonyl(2-methylpropyl)amino]propyl]-N-(2-imidazol-1-ylethyl)-1-benzofuran-5-sulfonamide;N-(pyridin-4-ylmethyl)-N-(6,6,6-trifluoro-5-oxohexyl)-1-benzofuran-5-sulfonamide.

What is the SMILES notation for N-(1-benzofuran-5-ylmethyl)pyridin-4-amine;N-[3-[1-benzofuran-5-ylsulfonyl(2-imidazol-1-ylethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-[3-[1-benzofuran-5-ylsulfonyl(2-imidazol-1-ylethyl)amino]propyl]-N-(2-imidazol-1-ylethyl)-1-benzofuran-5-sulfonamide;N-[3-[1-benzofuran-5-ylsulfonyl(2-methylpropyl)amino]propyl]-N-(2-imidazol-1-ylethyl)-1-benzofuran-5-sulfonamide;N-(pyridin-4-ylmethyl)-N-(6,6,6-trifluoro-5-oxohexyl)-1-benzofuran-5-sulfonamide?

The canonical SMILES for N-(1-benzofuran-5-ylmethyl)pyridin-4-amine;N-[3-[1-benzofuran-5-ylsulfonyl(2-imidazol-1-ylethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-[3-[1-benzofuran-5-ylsulfonyl(2-imidazol-1-ylethyl)amino]propyl]-N-(2-imidazol-1-ylethyl)-1-benzofuran-5-sulfonamide;N-[3-[1-benzofuran-5-ylsulfonyl(2-methylpropyl)amino]propyl]-N-(2-imidazol-1-ylethyl)-1-benzofuran-5-sulfonamide;N-(pyridin-4-ylmethyl)-N-(6,6,6-trifluoro-5-oxohexyl)-1-benzofuran-5-sulfonamide is CC(C)CN(CCCN(CCn1ccnc1)S(=O)(=O)c1ccc2occc2c1)C(=O)CC(C)(C)C.CC(C)CN(CCCN(CCn1ccnc1)S(=O)(=O)c1ccc2occc2c1)S(=O)(=O)c1ccc2occc2c1.O=C(CCCCN(Cc1ccncc1)S(=O)(=O)c1ccc2occc2c1)C(F)(F)F.O=S(=O)(c1ccc2occc2c1)N(CCCN(CCn1ccnc1)S(=O)(=O)c1ccc2occc2c1)CCn1ccnc1.c1cc(NCc2ccc3occc3c2)ccn1.

What is the InChIKey of N-(1-benzofuran-5-ylmethyl)pyridin-4-amine;N-[3-[1-benzofuran-5-ylsulfonyl(2-imidazol-1-ylethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-[3-[1-benzofuran-5-ylsulfonyl(2-imidazol-1-ylethyl)amino]propyl]-N-(2-imidazol-1-ylethyl)-1-benzofuran-5-sulfonamide;N-[3-[1-benzofuran-5-ylsulfonyl(2-methylpropyl)amino]propyl]-N-(2-imidazol-1-ylethyl)-1-benzofuran-5-sulfonamide;N-(pyridin-4-ylmethyl)-N-(6,6,6-trifluoro-5-oxohexyl)-1-benzofuran-5-sulfonamide?

The InChIKey is RCYPECOKXSUHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N6O6S2.C28H32N4O6S2.C26H38N4O4S.C20H19F3N2O4S.C14H12N2O/c36-42(37,26-2-4-28-24(20-26)6-18-40-28)34(16-14-32-12-8-30-22-32)10-1-11-35(17-15-33-13-9-31-23-33)43(38,39)27-3-5-29-25(21-27)7-19-41-29;1-22(2)20-32(40(35,36)26-5-7-28-24(19-26)9-17-38-28)12-3-11-31(15-14-30-13-10-29-21-30)39(33,34)25-4-6-27-23(18-25)8-16-37-27;1-21(2)19-29(25(31)18-26(3,4)5)11-6-12-30(15-14-28-13-10-27-20-28)35(32,33)23-7-8-24-22(17-23)9-16-34-24;21-20(22,23)19(26)3-1-2-11-25(14-15-6-9-24-10-7-15)30(27,28)17-4-5-18-16(13-17)8-12-29-18;1-2-14-12(5-8-17-14)9-11(1)10-16-13-3-6-15-7-4-13/h2-9,12-13,18-23H,1,10-11,14-17H2;4-10,13,16-19,21-22H,3,11-12,14-15,20H2,1-2H3;7-10,13,16-17,20-21H,6,11-12,14-15,18-19H2,1-5H3;4-10,12-13H,1-3,11,14H2;1-9H,10H2,(H,15,16).

What are the key properties of N-(1-benzofuran-5-ylmethyl)pyridin-4-amine;N-[3-[1-benzofuran-5-ylsulfonyl(2-imidazol-1-ylethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-[3-[1-benzofuran-5-ylsulfonyl(2-imidazol-1-ylethyl)amino]propyl]-N-(2-imidazol-1-ylethyl)-1-benzofuran-5-sulfonamide;N-[3-[1-benzofuran-5-ylsulfonyl(2-methylpropyl)amino]propyl]-N-(2-imidazol-1-ylethyl)-1-benzofuran-5-sulfonamide;N-(pyridin-4-ylmethyl)-N-(6,6,6-trifluoro-5-oxohexyl)-1-benzofuran-5-sulfonamide?

N-(1-benzofuran-5-ylmethyl)pyridin-4-amine;N-[3-[1-benzofuran-5-ylsulfonyl(2-imidazol-1-ylethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-[3-[1-benzofuran-5-ylsulfonyl(2-imidazol-1-ylethyl)amino]propyl]-N-(2-imidazol-1-ylethyl)-1-benzofuran-5-sulfonamide;N-[3-[1-benzofuran-5-ylsulfonyl(2-methylpropyl)amino]propyl]-N-(2-imidazol-1-ylethyl)-1-benzofuran-5-sulfonamide;N-(pyridin-4-ylmethyl)-N-(6,6,6-trifluoro-5-oxohexyl)-1-benzofuran-5-sulfonamide has a molecular weight of 2374.84 g/mol, XLogP of 21.24, 51 rotatable bonds, 1 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-benzofuran-5-ylmethyl)pyridin-4-amine;N-[3-[1-benzofuran-5-ylsulfonyl(2-imidazol-1-ylethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-[3-[1-benzofuran-5-ylsulfonyl(2-imidazol-1-ylethyl)amino]propyl]-N-(2-imidazol-1-ylethyl)-1-benzofuran-5-sulfonamide;N-[3-[1-benzofuran-5-ylsulfonyl(2-methylpropyl)amino]propyl]-N-(2-imidazol-1-ylethyl)-1-benzofuran-5-sulfonamide;N-(pyridin-4-ylmethyl)-N-(6,6,6-trifluoro-5-oxohexyl)-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 160590621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).