(2R)-3-(1-benzofuran-5-yl)-2-(1-benzofuran-5-ylmethylamino)-N-(2-methylpropyl)propanamide;2-[1-benzofuran-5-ylsulfonyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]-N,N-bis(2-methylpropyl)acetamide;2-[1-benzofuran-5-ylsulfonyl-[2-(3-methylpyrazol-1-yl)ethyl]amino]-N,N-bis(2-methylpropyl)acetamide;2-[1-benzofuran-5-ylsulfonyl(pyridin-2-ylmethyl)amino]-N,N-bis(2-methylpropyl)acetamide

C₉₆H₁₂₅N₁₃O₁₅S₃ — CID 157413916

About (2R)-3-(1-benzofuran-5-yl)-2-(1-benzofuran-5-ylmethylamino)-N-(2-methylpropyl)propanamide;2-[1-benzofuran-5-ylsulfonyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]-N,N-bis(2-methylpropyl)acetamide;2-[1-benzofuran-5-ylsulfonyl-[2-(3-methylpyrazol-1-yl)ethyl]amino]-N,N-bis(2-methylpropyl)acetamide;2-[1-benzofuran-5-ylsulfonyl(pyridin-2-ylmethyl)amino]-N,N-bis(2-methylpropyl)acetamide

(2R)-3-(1-benzofuran-5-yl)-2-(1-benzofuran-5-ylmethylamino)-N-(2-methylpropyl)propanamide;2-[1-benzofuran-5-ylsulfonyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]-N,N-bis(2-methylpropyl)acetamide;2-[1-benzofuran-5-ylsulfonyl-[2-(3-methylpyrazol-1-yl)ethyl]amino]-N,N-bis(2-methylpropyl)acetamide;2-[1-benzofuran-5-ylsulfonyl(pyridin-2-ylmethyl)amino]-N,N-bis(2-methylpropyl)acetamide (PubChem CID 157413916) has the molecular formula C₉₆H₁₂₅N₁₃O₁₅S₃ and a molecular weight of 1797.33 g/mol. Its IUPAC name is (2R)-3-(1-benzofuran-5-yl)-2-(1-benzofuran-5-ylmethylamino)-N-(2-methylpropyl)propanamide;2-[1-benzofuran-5-ylsulfonyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]-N,N-bis(2-methylpropyl)acetamide;2-[1-benzofuran-5-ylsulfonyl-[2-(3-methylpyrazol-1-yl)ethyl]amino]-N,N-bis(2-methylpropyl)acetamide;2-[1-benzofuran-5-ylsulfonyl(pyridin-2-ylmethyl)amino]-N,N-bis(2-methylpropyl)acetamide.

Molecular Properties

• Compound Name: (2R)-3-(1-benzofuran-5-yl)-2-(1-benzofuran-5-ylmethylamino)-N-(2-methylpropyl)propanamide;2-[1-benzofuran-5-ylsulfonyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]-N,N-bis(2-methylpropyl)acetamide;2-[1-benzofuran-5-ylsulfonyl-[2-(3-methylpyrazol-1-yl)ethyl]amino]-N,N-bis(2-methylpropyl)acetamide;2-[1-benzofuran-5-ylsulfonyl(pyridin-2-ylmethyl)amino]-N,N-bis(2-methylpropyl)acetamide
• PubChem CID: 157413916
• Molecular Formula: C₉₆H₁₂₅N₁₃O₁₅S₃
• Molecular Weight: 1797.33 g/mol
• Exact Mass: 1795.86
• IUPAC Name: (2R)-3-(1-benzofuran-5-yl)-2-(1-benzofuran-5-ylmethylamino)-N-(2-methylpropyl)propanamide;2-[1-benzofuran-5-ylsulfonyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]-N,N-bis(2-methylpropyl)acetamide;2-[1-benzofuran-5-ylsulfonyl-[2-(3-methylpyrazol-1-yl)ethyl]amino]-N,N-bis(2-methylpropyl)acetamide;2-[1-benzofuran-5-ylsulfonyl(pyridin-2-ylmethyl)amino]-N,N-bis(2-methylpropyl)acetamide
• SMILES: CC(C)CN(CC(C)C)C(=O)CN(Cc1ccccn1)S(=O)(=O)c1ccc2occc2c1.CC(C)CNC(=O)[C@@H](Cc1ccc2occc2c1)NCc1ccc2occc2c1.Cc1cc(CN(CC(=O)N(CC(C)C)CC(C)C)S(=O)(=O)c2ccc3occc3c2)n(C)n1.Cc1ccn(CCN(CC(=O)N(CC(C)C)CC(C)C)S(=O)(=O)c2ccc3occc3c2)n1
• InChI: InChI=1S/2C24H34N4O4S.C24H31N3O4S.C24H26N2O3/c1-17(2)13-27(14-18(3)4)24(29)16-28(15-21-11-19(5)25-26(21)6)33(30,31)22-7-8-23-20(12-22)9-10-32-23;1-18(2)15-26(16-19(3)4)24(29)17-28(12-11-27-10-8-20(5)25-27)33(30,31)22-6-7-23-21(14-22)9-13-32-23;1-18(2)14-26(15-19(3)4)24(28)17-27(16-21-7-5-6-11-25-21)32(29,30)22-8-9-23-20(13-22)10-12-31-23;1-16(2)14-26-24(27)21(13-17-3-5-22-19(11-17)7-9-28-22)25-15-18-4-6-23-20(12-18)8-10-29-23/h7-12,17-18H,13-16H2,1-6H3;6-10,13-14,18-19H,11-12,15-17H2,1-5H3;5-13,18-19H,14-17H2,1-4H3;3-12,16,21,25H,13-15H2,1-2H3,(H,26,27)/t;;;21-/m...1/s1
• InChIKey: BOPOIBZFURCFOW-JWAVSKPKSA-N
• XLogP: 16.39
• TPSA: 328.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 21
• Rotatable Bonds: 39
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1797.33
LogP ≤ 5	16.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(1-benzofuran-5-yl)-2-(1-benzofuran-5-ylmethylamino)-N-(2-methylpropyl)propanamide;2-[1-benzofuran-5-ylsulfonyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]-N,N-bis(2-methylpropyl)acetamide;2-[1-benzofuran-5-ylsulfonyl-[2-(3-methylpyrazol-1-yl)ethyl]amino]-N,N-bis(2-methylpropyl)acetamide;2-[1-benzofuran-5-ylsulfonyl(pyridin-2-ylmethyl)amino]-N,N-bis(2-methylpropyl)acetamide?

The IUPAC name of (2R)-3-(1-benzofuran-5-yl)-2-(1-benzofuran-5-ylmethylamino)-N-(2-methylpropyl)propanamide;2-[1-benzofuran-5-ylsulfonyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]-N,N-bis(2-methylpropyl)acetamide;2-[1-benzofuran-5-ylsulfonyl-[2-(3-methylpyrazol-1-yl)ethyl]amino]-N,N-bis(2-methylpropyl)acetamide;2-[1-benzofuran-5-ylsulfonyl(pyridin-2-ylmethyl)amino]-N,N-bis(2-methylpropyl)acetamide (CID 157413916) is (2R)-3-(1-benzofuran-5-yl)-2-(1-benzofuran-5-ylmethylamino)-N-(2-methylpropyl)propanamide;2-[1-benzofuran-5-ylsulfonyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]-N,N-bis(2-methylpropyl)acetamide;2-[1-benzofuran-5-ylsulfonyl-[2-(3-methylpyrazol-1-yl)ethyl]amino]-N,N-bis(2-methylpropyl)acetamide;2-[1-benzofuran-5-ylsulfonyl(pyridin-2-ylmethyl)amino]-N,N-bis(2-methylpropyl)acetamide.

What is the SMILES notation for (2R)-3-(1-benzofuran-5-yl)-2-(1-benzofuran-5-ylmethylamino)-N-(2-methylpropyl)propanamide;2-[1-benzofuran-5-ylsulfonyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]-N,N-bis(2-methylpropyl)acetamide;2-[1-benzofuran-5-ylsulfonyl-[2-(3-methylpyrazol-1-yl)ethyl]amino]-N,N-bis(2-methylpropyl)acetamide;2-[1-benzofuran-5-ylsulfonyl(pyridin-2-ylmethyl)amino]-N,N-bis(2-methylpropyl)acetamide?

The canonical SMILES for (2R)-3-(1-benzofuran-5-yl)-2-(1-benzofuran-5-ylmethylamino)-N-(2-methylpropyl)propanamide;2-[1-benzofuran-5-ylsulfonyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]-N,N-bis(2-methylpropyl)acetamide;2-[1-benzofuran-5-ylsulfonyl-[2-(3-methylpyrazol-1-yl)ethyl]amino]-N,N-bis(2-methylpropyl)acetamide;2-[1-benzofuran-5-ylsulfonyl(pyridin-2-ylmethyl)amino]-N,N-bis(2-methylpropyl)acetamide is CC(C)CN(CC(C)C)C(=O)CN(Cc1ccccn1)S(=O)(=O)c1ccc2occc2c1.CC(C)CNC(=O)[C@@H](Cc1ccc2occc2c1)NCc1ccc2occc2c1.Cc1cc(CN(CC(=O)N(CC(C)C)CC(C)C)S(=O)(=O)c2ccc3occc3c2)n(C)n1.Cc1ccn(CCN(CC(=O)N(CC(C)C)CC(C)C)S(=O)(=O)c2ccc3occc3c2)n1.

What is the InChIKey of (2R)-3-(1-benzofuran-5-yl)-2-(1-benzofuran-5-ylmethylamino)-N-(2-methylpropyl)propanamide;2-[1-benzofuran-5-ylsulfonyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]-N,N-bis(2-methylpropyl)acetamide;2-[1-benzofuran-5-ylsulfonyl-[2-(3-methylpyrazol-1-yl)ethyl]amino]-N,N-bis(2-methylpropyl)acetamide;2-[1-benzofuran-5-ylsulfonyl(pyridin-2-ylmethyl)amino]-N,N-bis(2-methylpropyl)acetamide?

The InChIKey is BOPOIBZFURCFOW-JWAVSKPKSA-N. The full InChI is InChI=1S/2C24H34N4O4S.C24H31N3O4S.C24H26N2O3/c1-17(2)13-27(14-18(3)4)24(29)16-28(15-21-11-19(5)25-26(21)6)33(30,31)22-7-8-23-20(12-22)9-10-32-23;1-18(2)15-26(16-19(3)4)24(29)17-28(12-11-27-10-8-20(5)25-27)33(30,31)22-6-7-23-21(14-22)9-13-32-23;1-18(2)14-26(15-19(3)4)24(28)17-27(16-21-7-5-6-11-25-21)32(29,30)22-8-9-23-20(13-22)10-12-31-23;1-16(2)14-26-24(27)21(13-17-3-5-22-19(11-17)7-9-28-22)25-15-18-4-6-23-20(12-18)8-10-29-23/h7-12,17-18H,13-16H2,1-6H3;6-10,13-14,18-19H,11-12,15-17H2,1-5H3;5-13,18-19H,14-17H2,1-4H3;3-12,16,21,25H,13-15H2,1-2H3,(H,26,27)/t;;;21-/m...1/s1.

What are the key properties of (2R)-3-(1-benzofuran-5-yl)-2-(1-benzofuran-5-ylmethylamino)-N-(2-methylpropyl)propanamide;2-[1-benzofuran-5-ylsulfonyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]-N,N-bis(2-methylpropyl)acetamide;2-[1-benzofuran-5-ylsulfonyl-[2-(3-methylpyrazol-1-yl)ethyl]amino]-N,N-bis(2-methylpropyl)acetamide;2-[1-benzofuran-5-ylsulfonyl(pyridin-2-ylmethyl)amino]-N,N-bis(2-methylpropyl)acetamide?

(2R)-3-(1-benzofuran-5-yl)-2-(1-benzofuran-5-ylmethylamino)-N-(2-methylpropyl)propanamide;2-[1-benzofuran-5-ylsulfonyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]-N,N-bis(2-methylpropyl)acetamide;2-[1-benzofuran-5-ylsulfonyl-[2-(3-methylpyrazol-1-yl)ethyl]amino]-N,N-bis(2-methylpropyl)acetamide;2-[1-benzofuran-5-ylsulfonyl(pyridin-2-ylmethyl)amino]-N,N-bis(2-methylpropyl)acetamide has a molecular weight of 1797.33 g/mol, XLogP of 16.39, 39 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-3-(1-benzofuran-5-yl)-2-(1-benzofuran-5-ylmethylamino)-N-(2-methylpropyl)propanamide;2-[1-benzofuran-5-ylsulfonyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]-N,N-bis(2-methylpropyl)acetamide;2-[1-benzofuran-5-ylsulfonyl-[2-(3-methylpyrazol-1-yl)ethyl]amino]-N,N-bis(2-methylpropyl)acetamide;2-[1-benzofuran-5-ylsulfonyl(pyridin-2-ylmethyl)amino]-N,N-bis(2-methylpropyl)acetamide is sourced from PubChem (CID 157413916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157413916 — identifiers, structure, computed properties (public domain)

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