N-(1-benzofuran-5-ylmethyl)-2-[1-benzofuran-5-ylsulfonyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-N-(2-methylpropyl)acetamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-6-[methylsulfonyl(1,3-thiazol-5-ylmethyl)amino]hexanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-methyl-N,N-bis(2-methylpropyl)-N'-(1,3-thiazol-5-ylmethyl)butanediamide;(2S)-2-[1-benzofuran-5-ylsulfonyl-[(3-methylimidazol-4-yl)methyl]amino]-4-methyl-N,N-bis(2-methylpropyl)pentanamide

C107H143N15O20S8 — CID 160837821

About N-(1-benzofuran-5-ylmethyl)-2-[1-benzofuran-5-ylsulfonyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-N-(2-methylpropyl)acetamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-6-[methylsulfonyl(1,3-thiazol-5-ylmethyl)amino]hexanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-methyl-N,N-bis(2-methylpropyl)-N'-(1,3-thiazol-5-ylmethyl)butanediamide;(2S)-2-[1-benzofuran-5-ylsulfonyl-[(3-methylimidazol-4-yl)methyl]amino]-4-methyl-N,N-bis(2-methylpropyl)pentanamide

N-(1-benzofuran-5-ylmethyl)-2-[1-benzofuran-5-ylsulfonyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-N-(2-methylpropyl)acetamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-6-[methylsulfonyl(1,3-thiazol-5-ylmethyl)amino]hexanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-methyl-N,N-bis(2-methylpropyl)-N'-(1,3-thiazol-5-ylmethyl)butanediamide;(2S)-2-[1-benzofuran-5-ylsulfonyl-[(3-methylimidazol-4-yl)methyl]amino]-4-methyl-N,N-bis(2-methylpropyl)pentanamide (PubChem CID 160837821) has the molecular formula C107H143N15O20S8 and a molecular weight of 2215.94 g/mol. Its IUPAC name is N-(1-benzofuran-5-ylmethyl)-2-[1-benzofuran-5-ylsulfonyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-N-(2-methylpropyl)acetamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-6-[methylsulfonyl(1,3-thiazol-5-ylmethyl)amino]hexanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-methyl-N,N-bis(2-methylpropyl)-N'-(1,3-thiazol-5-ylmethyl)butanediamide;(2S)-2-[1-benzofuran-5-ylsulfonyl-[(3-methylimidazol-4-yl)methyl]amino]-4-methyl-N,N-bis(2-methylpropyl)pentanamide.

Molecular Properties

• Compound Name: N-(1-benzofuran-5-ylmethyl)-2-[1-benzofuran-5-ylsulfonyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-N-(2-methylpropyl)acetamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-6-[methylsulfonyl(1,3-thiazol-5-ylmethyl)amino]hexanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-methyl-N,N-bis(2-methylpropyl)-N'-(1,3-thiazol-5-ylmethyl)butanediamide;(2S)-2-[1-benzofuran-5-ylsulfonyl-[(3-methylimidazol-4-yl)methyl]amino]-4-methyl-N,N-bis(2-methylpropyl)pentanamide
• PubChem CID: 160837821
• Molecular Formula: C107H143N15O20S8
• Molecular Weight: 2215.94 g/mol
• Exact Mass: 2213.84
• IUPAC Name: N-(1-benzofuran-5-ylmethyl)-2-[1-benzofuran-5-ylsulfonyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-N-(2-methylpropyl)acetamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-6-[methylsulfonyl(1,3-thiazol-5-ylmethyl)amino]hexanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-methyl-N,N-bis(2-methylpropyl)-N'-(1,3-thiazol-5-ylmethyl)butanediamide;(2S)-2-[1-benzofuran-5-ylsulfonyl-[(3-methylimidazol-4-yl)methyl]amino]-4-methyl-N,N-bis(2-methylpropyl)pentanamide
• SMILES: CC(C)CN(CC(C)C)C(=O)[C@H](CC(=O)N(C)Cc1cncs1)NS(=O)(=O)c1ccc2occc2c1.CC(C)CN(CC(C)C)C(=O)[C@H](CCCCN(Cc1cncs1)S(C)(=O)=O)NS(=O)(=O)c1ccc2occc2c1.CC(C)C[C@@H](C(=O)N(CC(C)C)CC(C)C)N(Cc1cncn1C)S(=O)(=O)c1ccc2occc2c1.Cc1nc(CN(CC(=O)N(Cc2ccc3occc3c2)CC(C)C)S(=O)(=O)c2ccc3occc3c2)cs1
• InChI: InChI=1S/C28H29N3O5S2.C27H40N4O6S3.C27H40N4O4S.C25H34N4O5S2/c1-19(2)14-30(15-21-4-6-26-22(12-21)8-10-35-26)28(32)17-31(16-24-18-37-20(3)29-24)38(33,34)25-5-7-27-23(13-25)9-11-36-27;1-20(2)16-30(17-21(3)4)27(32)25(29-40(35,36)24-9-10-26-22(14-24)11-13-37-26)8-6-7-12-31(39(5,33)34)18-23-15-28-19-38-23;1-19(2)12-25(27(32)30(15-20(3)4)16-21(5)6)31(17-23-14-28-18-29(23)7)36(33,34)24-8-9-26-22(13-24)10-11-35-26;1-17(2)13-29(14-18(3)4)25(31)22(11-24(30)28(5)15-20-12-26-16-35-20)27-36(32,33)21-6-7-23-19(10-21)8-9-34-23/h4-13,18-19H,14-17H2,1-3H3;9-11,13-15,19-21,25,29H,6-8,12,16-18H2,1-5H3;8-11,13-14,18-21,25H,12,15-17H2,1-7H3;6-10,12,16-18,22,27H,11,13-15H2,1-5H3/t;2*25-;22-/m.000/s1
• InChIKey: SHQFGCPRJKIPAT-WQTYGGNGSA-N
• XLogP: 18.77
• TPSA: 428.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 28
• Rotatable Bonds: 50
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2215.94
LogP ≤ 5	18.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	28

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)-2-[1-benzofuran-5-ylsulfonyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-N-(2-methylpropyl)acetamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-6-[methylsulfonyl(1,3-thiazol-5-ylmethyl)amino]hexanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-methyl-N,N-bis(2-methylpropyl)-N'-(1,3-thiazol-5-ylmethyl)butanediamide;(2S)-2-[1-benzofuran-5-ylsulfonyl-[(3-methylimidazol-4-yl)methyl]amino]-4-methyl-N,N-bis(2-methylpropyl)pentanamide?

The IUPAC name of N-(1-benzofuran-5-ylmethyl)-2-[1-benzofuran-5-ylsulfonyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-N-(2-methylpropyl)acetamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-6-[methylsulfonyl(1,3-thiazol-5-ylmethyl)amino]hexanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-methyl-N,N-bis(2-methylpropyl)-N'-(1,3-thiazol-5-ylmethyl)butanediamide;(2S)-2-[1-benzofuran-5-ylsulfonyl-[(3-methylimidazol-4-yl)methyl]amino]-4-methyl-N,N-bis(2-methylpropyl)pentanamide (CID 160837821) is N-(1-benzofuran-5-ylmethyl)-2-[1-benzofuran-5-ylsulfonyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-N-(2-methylpropyl)acetamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-6-[methylsulfonyl(1,3-thiazol-5-ylmethyl)amino]hexanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-methyl-N,N-bis(2-methylpropyl)-N'-(1,3-thiazol-5-ylmethyl)butanediamide;(2S)-2-[1-benzofuran-5-ylsulfonyl-[(3-methylimidazol-4-yl)methyl]amino]-4-methyl-N,N-bis(2-methylpropyl)pentanamide.

What is the SMILES notation for N-(1-benzofuran-5-ylmethyl)-2-[1-benzofuran-5-ylsulfonyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-N-(2-methylpropyl)acetamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-6-[methylsulfonyl(1,3-thiazol-5-ylmethyl)amino]hexanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-methyl-N,N-bis(2-methylpropyl)-N'-(1,3-thiazol-5-ylmethyl)butanediamide;(2S)-2-[1-benzofuran-5-ylsulfonyl-[(3-methylimidazol-4-yl)methyl]amino]-4-methyl-N,N-bis(2-methylpropyl)pentanamide?

The canonical SMILES for N-(1-benzofuran-5-ylmethyl)-2-[1-benzofuran-5-ylsulfonyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-N-(2-methylpropyl)acetamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-6-[methylsulfonyl(1,3-thiazol-5-ylmethyl)amino]hexanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-methyl-N,N-bis(2-methylpropyl)-N'-(1,3-thiazol-5-ylmethyl)butanediamide;(2S)-2-[1-benzofuran-5-ylsulfonyl-[(3-methylimidazol-4-yl)methyl]amino]-4-methyl-N,N-bis(2-methylpropyl)pentanamide is CC(C)CN(CC(C)C)C(=O)[C@H](CC(=O)N(C)Cc1cncs1)NS(=O)(=O)c1ccc2occc2c1.CC(C)CN(CC(C)C)C(=O)[C@H](CCCCN(Cc1cncs1)S(C)(=O)=O)NS(=O)(=O)c1ccc2occc2c1.CC(C)C[C@@H](C(=O)N(CC(C)C)CC(C)C)N(Cc1cncn1C)S(=O)(=O)c1ccc2occc2c1.Cc1nc(CN(CC(=O)N(Cc2ccc3occc3c2)CC(C)C)S(=O)(=O)c2ccc3occc3c2)cs1.

What is the InChIKey of N-(1-benzofuran-5-ylmethyl)-2-[1-benzofuran-5-ylsulfonyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-N-(2-methylpropyl)acetamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-6-[methylsulfonyl(1,3-thiazol-5-ylmethyl)amino]hexanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-methyl-N,N-bis(2-methylpropyl)-N'-(1,3-thiazol-5-ylmethyl)butanediamide;(2S)-2-[1-benzofuran-5-ylsulfonyl-[(3-methylimidazol-4-yl)methyl]amino]-4-methyl-N,N-bis(2-methylpropyl)pentanamide?

The InChIKey is SHQFGCPRJKIPAT-WQTYGGNGSA-N. The full InChI is InChI=1S/C28H29N3O5S2.C27H40N4O6S3.C27H40N4O4S.C25H34N4O5S2/c1-19(2)14-30(15-21-4-6-26-22(12-21)8-10-35-26)28(32)17-31(16-24-18-37-20(3)29-24)38(33,34)25-5-7-27-23(13-25)9-11-36-27;1-20(2)16-30(17-21(3)4)27(32)25(29-40(35,36)24-9-10-26-22(14-24)11-13-37-26)8-6-7-12-31(39(5,33)34)18-23-15-28-19-38-23;1-19(2)12-25(27(32)30(15-20(3)4)16-21(5)6)31(17-23-14-28-18-29(23)7)36(33,34)24-8-9-26-22(13-24)10-11-35-26;1-17(2)13-29(14-18(3)4)25(31)22(11-24(30)28(5)15-20-12-26-16-35-20)27-36(32,33)21-6-7-23-19(10-21)8-9-34-23/h4-13,18-19H,14-17H2,1-3H3;9-11,13-15,19-21,25,29H,6-8,12,16-18H2,1-5H3;8-11,13-14,18-21,25H,12,15-17H2,1-7H3;6-10,12,16-18,22,27H,11,13-15H2,1-5H3/t;2*25-;22-/m.000/s1.

What are the key properties of N-(1-benzofuran-5-ylmethyl)-2-[1-benzofuran-5-ylsulfonyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-N-(2-methylpropyl)acetamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-6-[methylsulfonyl(1,3-thiazol-5-ylmethyl)amino]hexanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-methyl-N,N-bis(2-methylpropyl)-N'-(1,3-thiazol-5-ylmethyl)butanediamide;(2S)-2-[1-benzofuran-5-ylsulfonyl-[(3-methylimidazol-4-yl)methyl]amino]-4-methyl-N,N-bis(2-methylpropyl)pentanamide?

N-(1-benzofuran-5-ylmethyl)-2-[1-benzofuran-5-ylsulfonyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-N-(2-methylpropyl)acetamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-6-[methylsulfonyl(1,3-thiazol-5-ylmethyl)amino]hexanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-methyl-N,N-bis(2-methylpropyl)-N'-(1,3-thiazol-5-ylmethyl)butanediamide;(2S)-2-[1-benzofuran-5-ylsulfonyl-[(3-methylimidazol-4-yl)methyl]amino]-4-methyl-N,N-bis(2-methylpropyl)pentanamide has a molecular weight of 2215.94 g/mol, XLogP of 18.77, 50 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-benzofuran-5-ylmethyl)-2-[1-benzofuran-5-ylsulfonyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-N-(2-methylpropyl)acetamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-6-[methylsulfonyl(1,3-thiazol-5-ylmethyl)amino]hexanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-methyl-N,N-bis(2-methylpropyl)-N'-(1,3-thiazol-5-ylmethyl)butanediamide;(2S)-2-[1-benzofuran-5-ylsulfonyl-[(3-methylimidazol-4-yl)methyl]amino]-4-methyl-N,N-bis(2-methylpropyl)pentanamide is sourced from PubChem (CID 160837821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).