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

C117H128N10O20S5 — CID 159717934

About N-(1-benzofuran-5-ylmethyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;bis(N-(7,7-dimethyl-5-oxooctyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide);N-(4-phenylbutyl)-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;bis(N-(7,7-dimethyl-5-oxooctyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide);N-(4-phenylbutyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;propan-2-yl 5-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]pentanoate (PubChem CID 159717934) has the molecular formula C117H128N10O20S5 and a molecular weight of 2154.70 g/mol. Its IUPAC name is N-(1-benzofuran-5-ylmethyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;bis(N-(7,7-dimethyl-5-oxooctyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide);N-(4-phenylbutyl)-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;bis(N-(7,7-dimethyl-5-oxooctyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide);N-(4-phenylbutyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;propan-2-yl 5-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]pentanoate
• PubChem CID: 159717934
• Molecular Formula: C117H128N10O20S5
• Molecular Weight: 2154.70 g/mol
• Exact Mass: 2152.79
• IUPAC Name: N-(1-benzofuran-5-ylmethyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;bis(N-(7,7-dimethyl-5-oxooctyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide);N-(4-phenylbutyl)-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)OC(=O)CCCCN(Cc1ccncc1)S(=O)(=O)c1ccc2occc2c1.O=S(=O)(c1ccc2occc2c1)N(CCCCc1ccccc1)Cc1ccncc1.O=S(=O)(c1ccc2occc2c1)N(Cc1ccncc1)Cc1ccc2occc2c1
• InChI: InChI=1S/2C24H30N2O4S.C24H24N2O3S.C23H18N2O4S.C22H26N2O5S/c2*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;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;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*7-13,15-16H,4-6,14,17-18H2,1-3H3;1-3,6-7,9-15,17-18H,4-5,8,16,19H2;1-14H,15-16H2;6-12,14-15,17H,3-5,13,16H2,1-2H3
• InChIKey: MZQYVBBTGDEUJY-UHFFFAOYSA-N
• XLogP: 24.54
• TPSA: 390.63 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 45
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2154.70
LogP ≤ 5	24.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

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;bis(N-(7,7-dimethyl-5-oxooctyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide);N-(4-phenylbutyl)-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;bis(N-(7,7-dimethyl-5-oxooctyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide);N-(4-phenylbutyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;propan-2-yl 5-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]pentanoate (CID 159717934) is N-(1-benzofuran-5-ylmethyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;bis(N-(7,7-dimethyl-5-oxooctyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide);N-(4-phenylbutyl)-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;bis(N-(7,7-dimethyl-5-oxooctyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide);N-(4-phenylbutyl)-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;bis(N-(7,7-dimethyl-5-oxooctyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide);N-(4-phenylbutyl)-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)OC(=O)CCCCN(Cc1ccncc1)S(=O)(=O)c1ccc2occc2c1.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;bis(N-(7,7-dimethyl-5-oxooctyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide);N-(4-phenylbutyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;propan-2-yl 5-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]pentanoate?

The InChIKey is MZQYVBBTGDEUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H30N2O4S.C24H24N2O3S.C23H18N2O4S.C22H26N2O5S/c2*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;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;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*7-13,15-16H,4-6,14,17-18H2,1-3H3;1-3,6-7,9-15,17-18H,4-5,8,16,19H2;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;bis(N-(7,7-dimethyl-5-oxooctyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide);N-(4-phenylbutyl)-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;bis(N-(7,7-dimethyl-5-oxooctyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide);N-(4-phenylbutyl)-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 2154.70 g/mol, XLogP of 24.54, 45 rotatable bonds, 0 hydrogen bond donors, and 25 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;bis(N-(7,7-dimethyl-5-oxooctyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide);N-(4-phenylbutyl)-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 159717934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).