3-(1-benzofuran-5-yl)-2-(1-benzofuran-5-ylmethylamino)-N,N-bis(2-methylpropyl)propanamide;N-(1-benzofuran-5-ylmethyl)-2-[1-benzofuran-5-ylsulfonyl-[(3-methylimidazol-4-yl)methyl]amino]-N-(2-methylpropyl)acetamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-3-(1-methylimidazol-4-yl)-N,N-bis(2-methylpropyl)propanamide;2-[1-benzofuran-5-ylsulfonyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]-2-methyl-N,N-bis(2-methylpropyl)propanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl(methyl)amino]-3-(3-methylimidazol-4-yl)-N,N-bis(2-methylpropyl)propanamide

C129H168N18O20S4 — CID 158019188

About 3-(1-benzofuran-5-yl)-2-(1-benzofuran-5-ylmethylamino)-N,N-bis(2-methylpropyl)propanamide;N-(1-benzofuran-5-ylmethyl)-2-[1-benzofuran-5-ylsulfonyl-[(3-methylimidazol-4-yl)methyl]amino]-N-(2-methylpropyl)acetamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-3-(1-methylimidazol-4-yl)-N,N-bis(2-methylpropyl)propanamide;2-[1-benzofuran-5-ylsulfonyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]-2-methyl-N,N-bis(2-methylpropyl)propanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl(methyl)amino]-3-(3-methylimidazol-4-yl)-N,N-bis(2-methylpropyl)propanamide

3-(1-benzofuran-5-yl)-2-(1-benzofuran-5-ylmethylamino)-N,N-bis(2-methylpropyl)propanamide;N-(1-benzofuran-5-ylmethyl)-2-[1-benzofuran-5-ylsulfonyl-[(3-methylimidazol-4-yl)methyl]amino]-N-(2-methylpropyl)acetamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-3-(1-methylimidazol-4-yl)-N,N-bis(2-methylpropyl)propanamide;2-[1-benzofuran-5-ylsulfonyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]-2-methyl-N,N-bis(2-methylpropyl)propanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl(methyl)amino]-3-(3-methylimidazol-4-yl)-N,N-bis(2-methylpropyl)propanamide (PubChem CID 158019188) has the molecular formula C129H168N18O20S4 and a molecular weight of 2419.14 g/mol. Its IUPAC name is 3-(1-benzofuran-5-yl)-2-(1-benzofuran-5-ylmethylamino)-N,N-bis(2-methylpropyl)propanamide;N-(1-benzofuran-5-ylmethyl)-2-[1-benzofuran-5-ylsulfonyl-[(3-methylimidazol-4-yl)methyl]amino]-N-(2-methylpropyl)acetamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-3-(1-methylimidazol-4-yl)-N,N-bis(2-methylpropyl)propanamide;2-[1-benzofuran-5-ylsulfonyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]-2-methyl-N,N-bis(2-methylpropyl)propanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl(methyl)amino]-3-(3-methylimidazol-4-yl)-N,N-bis(2-methylpropyl)propanamide.

Molecular Properties

• Compound Name: 3-(1-benzofuran-5-yl)-2-(1-benzofuran-5-ylmethylamino)-N,N-bis(2-methylpropyl)propanamide;N-(1-benzofuran-5-ylmethyl)-2-[1-benzofuran-5-ylsulfonyl-[(3-methylimidazol-4-yl)methyl]amino]-N-(2-methylpropyl)acetamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-3-(1-methylimidazol-4-yl)-N,N-bis(2-methylpropyl)propanamide;2-[1-benzofuran-5-ylsulfonyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]-2-methyl-N,N-bis(2-methylpropyl)propanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl(methyl)amino]-3-(3-methylimidazol-4-yl)-N,N-bis(2-methylpropyl)propanamide
• PubChem CID: 158019188
• Molecular Formula: C129H168N18O20S4
• Molecular Weight: 2419.14 g/mol
• Exact Mass: 2417.16
• IUPAC Name: 3-(1-benzofuran-5-yl)-2-(1-benzofuran-5-ylmethylamino)-N,N-bis(2-methylpropyl)propanamide;N-(1-benzofuran-5-ylmethyl)-2-[1-benzofuran-5-ylsulfonyl-[(3-methylimidazol-4-yl)methyl]amino]-N-(2-methylpropyl)acetamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-3-(1-methylimidazol-4-yl)-N,N-bis(2-methylpropyl)propanamide;2-[1-benzofuran-5-ylsulfonyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]-2-methyl-N,N-bis(2-methylpropyl)propanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl(methyl)amino]-3-(3-methylimidazol-4-yl)-N,N-bis(2-methylpropyl)propanamide
• SMILES: CC(C)CN(CC(C)C)C(=O)C(Cc1ccc2occc2c1)NCc1ccc2occc2c1.CC(C)CN(CC(C)C)C(=O)[C@H](Cc1cn(C)cn1)NS(=O)(=O)c1ccc2occc2c1.CC(C)CN(CC(C)C)C(=O)[C@H](Cc1cncn1C)N(C)S(=O)(=O)c1ccc2occc2c1.CC(C)CN(Cc1ccc2occc2c1)C(=O)CN(Cc1cncn1C)S(=O)(=O)c1ccc2occc2c1.Cc1cc(CN(C(C)(C)C(=O)N(CC(C)C)CC(C)C)S(=O)(=O)c2ccc3occc3c2)n(C)n1
• InChI: InChI=1S/C28H30N4O5S.C28H34N2O3.C26H38N4O4S.C24H34N4O4S.C23H32N4O4S/c1-20(2)15-31(16-21-4-6-26-22(12-21)8-10-36-26)28(33)18-32(17-24-14-29-19-30(24)3)38(34,35)25-5-7-27-23(13-25)9-11-37-27;1-19(2)17-30(18-20(3)4)28(31)25(15-21-5-7-26-23(13-21)9-11-32-26)29-16-22-6-8-27-24(14-22)10-12-33-27;1-18(2)15-29(16-19(3)4)25(31)26(6,7)30(17-22-13-20(5)27-28(22)8)35(32,33)23-9-10-24-21(14-23)11-12-34-24;1-17(2)14-28(15-18(3)4)24(29)22(12-20-13-25-16-26(20)5)27(6)33(30,31)21-7-8-23-19(11-21)9-10-32-23;1-16(2)12-27(13-17(3)4)23(28)21(11-19-14-26(5)15-24-19)25-32(29,30)20-6-7-22-18(10-20)8-9-31-22/h4-14,19-20H,15-18H2,1-3H3;5-14,19-20,25,29H,15-18H2,1-4H3;9-14,18-19H,15-17H2,1-8H3;7-11,13,16-18,22H,12,14-15H2,1-6H3;6-10,14-17,21,25H,11-13H2,1-5H3/t;;;22-;21-/m...00/s1
• InChIKey: FFVWDKDQUXDHDO-DGTKSXKGSA-N
• XLogP: 22.13
• TPSA: 435.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 29
• Rotatable Bonds: 50
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2419.14
LogP ≤ 5	22.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-5-yl)-2-(1-benzofuran-5-ylmethylamino)-N,N-bis(2-methylpropyl)propanamide;N-(1-benzofuran-5-ylmethyl)-2-[1-benzofuran-5-ylsulfonyl-[(3-methylimidazol-4-yl)methyl]amino]-N-(2-methylpropyl)acetamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-3-(1-methylimidazol-4-yl)-N,N-bis(2-methylpropyl)propanamide;2-[1-benzofuran-5-ylsulfonyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]-2-methyl-N,N-bis(2-methylpropyl)propanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl(methyl)amino]-3-(3-methylimidazol-4-yl)-N,N-bis(2-methylpropyl)propanamide?

The IUPAC name of 3-(1-benzofuran-5-yl)-2-(1-benzofuran-5-ylmethylamino)-N,N-bis(2-methylpropyl)propanamide;N-(1-benzofuran-5-ylmethyl)-2-[1-benzofuran-5-ylsulfonyl-[(3-methylimidazol-4-yl)methyl]amino]-N-(2-methylpropyl)acetamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-3-(1-methylimidazol-4-yl)-N,N-bis(2-methylpropyl)propanamide;2-[1-benzofuran-5-ylsulfonyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]-2-methyl-N,N-bis(2-methylpropyl)propanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl(methyl)amino]-3-(3-methylimidazol-4-yl)-N,N-bis(2-methylpropyl)propanamide (CID 158019188) is 3-(1-benzofuran-5-yl)-2-(1-benzofuran-5-ylmethylamino)-N,N-bis(2-methylpropyl)propanamide;N-(1-benzofuran-5-ylmethyl)-2-[1-benzofuran-5-ylsulfonyl-[(3-methylimidazol-4-yl)methyl]amino]-N-(2-methylpropyl)acetamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-3-(1-methylimidazol-4-yl)-N,N-bis(2-methylpropyl)propanamide;2-[1-benzofuran-5-ylsulfonyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]-2-methyl-N,N-bis(2-methylpropyl)propanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl(methyl)amino]-3-(3-methylimidazol-4-yl)-N,N-bis(2-methylpropyl)propanamide.

What is the SMILES notation for 3-(1-benzofuran-5-yl)-2-(1-benzofuran-5-ylmethylamino)-N,N-bis(2-methylpropyl)propanamide;N-(1-benzofuran-5-ylmethyl)-2-[1-benzofuran-5-ylsulfonyl-[(3-methylimidazol-4-yl)methyl]amino]-N-(2-methylpropyl)acetamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-3-(1-methylimidazol-4-yl)-N,N-bis(2-methylpropyl)propanamide;2-[1-benzofuran-5-ylsulfonyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]-2-methyl-N,N-bis(2-methylpropyl)propanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl(methyl)amino]-3-(3-methylimidazol-4-yl)-N,N-bis(2-methylpropyl)propanamide?

The canonical SMILES for 3-(1-benzofuran-5-yl)-2-(1-benzofuran-5-ylmethylamino)-N,N-bis(2-methylpropyl)propanamide;N-(1-benzofuran-5-ylmethyl)-2-[1-benzofuran-5-ylsulfonyl-[(3-methylimidazol-4-yl)methyl]amino]-N-(2-methylpropyl)acetamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-3-(1-methylimidazol-4-yl)-N,N-bis(2-methylpropyl)propanamide;2-[1-benzofuran-5-ylsulfonyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]-2-methyl-N,N-bis(2-methylpropyl)propanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl(methyl)amino]-3-(3-methylimidazol-4-yl)-N,N-bis(2-methylpropyl)propanamide is CC(C)CN(CC(C)C)C(=O)C(Cc1ccc2occc2c1)NCc1ccc2occc2c1.CC(C)CN(CC(C)C)C(=O)[C@H](Cc1cn(C)cn1)NS(=O)(=O)c1ccc2occc2c1.CC(C)CN(CC(C)C)C(=O)[C@H](Cc1cncn1C)N(C)S(=O)(=O)c1ccc2occc2c1.CC(C)CN(Cc1ccc2occc2c1)C(=O)CN(Cc1cncn1C)S(=O)(=O)c1ccc2occc2c1.Cc1cc(CN(C(C)(C)C(=O)N(CC(C)C)CC(C)C)S(=O)(=O)c2ccc3occc3c2)n(C)n1.

What is the InChIKey of 3-(1-benzofuran-5-yl)-2-(1-benzofuran-5-ylmethylamino)-N,N-bis(2-methylpropyl)propanamide;N-(1-benzofuran-5-ylmethyl)-2-[1-benzofuran-5-ylsulfonyl-[(3-methylimidazol-4-yl)methyl]amino]-N-(2-methylpropyl)acetamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-3-(1-methylimidazol-4-yl)-N,N-bis(2-methylpropyl)propanamide;2-[1-benzofuran-5-ylsulfonyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]-2-methyl-N,N-bis(2-methylpropyl)propanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl(methyl)amino]-3-(3-methylimidazol-4-yl)-N,N-bis(2-methylpropyl)propanamide?

The InChIKey is FFVWDKDQUXDHDO-DGTKSXKGSA-N. The full InChI is InChI=1S/C28H30N4O5S.C28H34N2O3.C26H38N4O4S.C24H34N4O4S.C23H32N4O4S/c1-20(2)15-31(16-21-4-6-26-22(12-21)8-10-36-26)28(33)18-32(17-24-14-29-19-30(24)3)38(34,35)25-5-7-27-23(13-25)9-11-37-27;1-19(2)17-30(18-20(3)4)28(31)25(15-21-5-7-26-23(13-21)9-11-32-26)29-16-22-6-8-27-24(14-22)10-12-33-27;1-18(2)15-29(16-19(3)4)25(31)26(6,7)30(17-22-13-20(5)27-28(22)8)35(32,33)23-9-10-24-21(14-23)11-12-34-24;1-17(2)14-28(15-18(3)4)24(29)22(12-20-13-25-16-26(20)5)27(6)33(30,31)21-7-8-23-19(11-21)9-10-32-23;1-16(2)12-27(13-17(3)4)23(28)21(11-19-14-26(5)15-24-19)25-32(29,30)20-6-7-22-18(10-20)8-9-31-22/h4-14,19-20H,15-18H2,1-3H3;5-14,19-20,25,29H,15-18H2,1-4H3;9-14,18-19H,15-17H2,1-8H3;7-11,13,16-18,22H,12,14-15H2,1-6H3;6-10,14-17,21,25H,11-13H2,1-5H3/t;;;22-;21-/m...00/s1.

What are the key properties of 3-(1-benzofuran-5-yl)-2-(1-benzofuran-5-ylmethylamino)-N,N-bis(2-methylpropyl)propanamide;N-(1-benzofuran-5-ylmethyl)-2-[1-benzofuran-5-ylsulfonyl-[(3-methylimidazol-4-yl)methyl]amino]-N-(2-methylpropyl)acetamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-3-(1-methylimidazol-4-yl)-N,N-bis(2-methylpropyl)propanamide;2-[1-benzofuran-5-ylsulfonyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]-2-methyl-N,N-bis(2-methylpropyl)propanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl(methyl)amino]-3-(3-methylimidazol-4-yl)-N,N-bis(2-methylpropyl)propanamide?

3-(1-benzofuran-5-yl)-2-(1-benzofuran-5-ylmethylamino)-N,N-bis(2-methylpropyl)propanamide;N-(1-benzofuran-5-ylmethyl)-2-[1-benzofuran-5-ylsulfonyl-[(3-methylimidazol-4-yl)methyl]amino]-N-(2-methylpropyl)acetamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-3-(1-methylimidazol-4-yl)-N,N-bis(2-methylpropyl)propanamide;2-[1-benzofuran-5-ylsulfonyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]-2-methyl-N,N-bis(2-methylpropyl)propanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl(methyl)amino]-3-(3-methylimidazol-4-yl)-N,N-bis(2-methylpropyl)propanamide has a molecular weight of 2419.14 g/mol, XLogP of 22.13, 50 rotatable bonds, 2 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1-benzofuran-5-yl)-2-(1-benzofuran-5-ylmethylamino)-N,N-bis(2-methylpropyl)propanamide;N-(1-benzofuran-5-ylmethyl)-2-[1-benzofuran-5-ylsulfonyl-[(3-methylimidazol-4-yl)methyl]amino]-N-(2-methylpropyl)acetamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-3-(1-methylimidazol-4-yl)-N,N-bis(2-methylpropyl)propanamide;2-[1-benzofuran-5-ylsulfonyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]-2-methyl-N,N-bis(2-methylpropyl)propanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl(methyl)amino]-3-(3-methylimidazol-4-yl)-N,N-bis(2-methylpropyl)propanamide is sourced from PubChem (CID 158019188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).