(2S)-2-(1-benzofuran-5-ylsulfonylamino)-6-[(3-methylimidazol-4-yl)methyl-methylsulfonylamino]-N,N-bis(2-methylpropyl)hexanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N-(2-methylpropyl)-3-(1,3-thiazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)propanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]-N,N-bis(2-methylpropyl)-3-phenylpropanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl(1,3-thiazol-5-ylmethyl)amino]-4-methyl-N,N-bis(2-methylpropyl)pentanamide

C107H144N16O18S8 — CID 158058086

About (2S)-2-(1-benzofuran-5-ylsulfonylamino)-6-[(3-methylimidazol-4-yl)methyl-methylsulfonylamino]-N,N-bis(2-methylpropyl)hexanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N-(2-methylpropyl)-3-(1,3-thiazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)propanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]-N,N-bis(2-methylpropyl)-3-phenylpropanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl(1,3-thiazol-5-ylmethyl)amino]-4-methyl-N,N-bis(2-methylpropyl)pentanamide

(2S)-2-(1-benzofuran-5-ylsulfonylamino)-6-[(3-methylimidazol-4-yl)methyl-methylsulfonylamino]-N,N-bis(2-methylpropyl)hexanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N-(2-methylpropyl)-3-(1,3-thiazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)propanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]-N,N-bis(2-methylpropyl)-3-phenylpropanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl(1,3-thiazol-5-ylmethyl)amino]-4-methyl-N,N-bis(2-methylpropyl)pentanamide (PubChem CID 158058086) has the molecular formula C107H144N16O18S8 and a molecular weight of 2198.96 g/mol. Its IUPAC name is (2S)-2-(1-benzofuran-5-ylsulfonylamino)-6-[(3-methylimidazol-4-yl)methyl-methylsulfonylamino]-N,N-bis(2-methylpropyl)hexanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N-(2-methylpropyl)-3-(1,3-thiazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)propanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]-N,N-bis(2-methylpropyl)-3-phenylpropanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl(1,3-thiazol-5-ylmethyl)amino]-4-methyl-N,N-bis(2-methylpropyl)pentanamide.

Molecular Properties

• Compound Name: (2S)-2-(1-benzofuran-5-ylsulfonylamino)-6-[(3-methylimidazol-4-yl)methyl-methylsulfonylamino]-N,N-bis(2-methylpropyl)hexanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N-(2-methylpropyl)-3-(1,3-thiazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)propanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]-N,N-bis(2-methylpropyl)-3-phenylpropanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl(1,3-thiazol-5-ylmethyl)amino]-4-methyl-N,N-bis(2-methylpropyl)pentanamide
• PubChem CID: 158058086
• Molecular Formula: C107H144N16O18S8
• Molecular Weight: 2198.96 g/mol
• Exact Mass: 2196.86
• IUPAC Name: (2S)-2-(1-benzofuran-5-ylsulfonylamino)-6-[(3-methylimidazol-4-yl)methyl-methylsulfonylamino]-N,N-bis(2-methylpropyl)hexanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N-(2-methylpropyl)-3-(1,3-thiazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)propanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]-N,N-bis(2-methylpropyl)-3-phenylpropanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl(1,3-thiazol-5-ylmethyl)amino]-4-methyl-N,N-bis(2-methylpropyl)pentanamide
• SMILES: CC(C)CN(CC(C)C)C(=O)[C@H](CCCCN(Cc1cncn1C)S(C)(=O)=O)NS(=O)(=O)c1ccc2occc2c1.CC(C)CN(Cc1cscn1)C(=O)[C@H](Cc1cscn1)NS(=O)(=O)c1ccc2occc2c1.CC(C)C[C@@H](C(=O)N(CC(C)C)CC(C)C)N(Cc1cncs1)S(=O)(=O)c1ccc2occc2c1.Cc1cc(CN([C@@H](Cc2ccccc2)C(=O)N(CC(C)C)CC(C)C)S(=O)(=O)c2ccc3occc3c2)n(C)n1
• InChI: InChI=1S/C31H40N4O4S.C28H43N5O6S2.C26H37N3O4S2.C22H24N4O4S3/c1-22(2)19-34(20-23(3)4)31(36)29(17-25-10-8-7-9-11-25)35(21-27-16-24(5)32-33(27)6)40(37,38)28-12-13-30-26(18-28)14-15-39-30;1-21(2)17-32(18-22(3)4)28(34)26(30-41(37,38)25-10-11-27-23(15-25)12-14-39-27)9-7-8-13-33(40(6,35)36)19-24-16-29-20-31(24)5;1-18(2)11-24(26(30)28(14-19(3)4)15-20(5)6)29(16-22-13-27-17-34-22)35(31,32)23-7-8-25-21(12-23)9-10-33-25;1-15(2)9-26(10-18-12-32-14-24-18)22(27)20(8-17-11-31-13-23-17)25-33(28,29)19-3-4-21-16(7-19)5-6-30-21/h7-16,18,22-23,29H,17,19-21H2,1-6H3;10-12,14-16,20-22,26,30H,7-9,13,17-19H2,1-6H3;7-10,12-13,17-20,24H,11,14-16H2,1-6H3;3-7,11-15,20,25H,8-10H2,1-2H3/t29-;26-;24-;20-/m0000/s1
• InChIKey: FKHSFONLXHSPHN-JIWMKYJQSA-N
• XLogP: 18.56
• TPSA: 412.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 28
• Rotatable Bonds: 50
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2198.96
LogP ≤ 5	18.56
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 (2S)-2-(1-benzofuran-5-ylsulfonylamino)-6-[(3-methylimidazol-4-yl)methyl-methylsulfonylamino]-N,N-bis(2-methylpropyl)hexanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N-(2-methylpropyl)-3-(1,3-thiazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)propanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]-N,N-bis(2-methylpropyl)-3-phenylpropanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl(1,3-thiazol-5-ylmethyl)amino]-4-methyl-N,N-bis(2-methylpropyl)pentanamide?

The IUPAC name of (2S)-2-(1-benzofuran-5-ylsulfonylamino)-6-[(3-methylimidazol-4-yl)methyl-methylsulfonylamino]-N,N-bis(2-methylpropyl)hexanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N-(2-methylpropyl)-3-(1,3-thiazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)propanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]-N,N-bis(2-methylpropyl)-3-phenylpropanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl(1,3-thiazol-5-ylmethyl)amino]-4-methyl-N,N-bis(2-methylpropyl)pentanamide (CID 158058086) is (2S)-2-(1-benzofuran-5-ylsulfonylamino)-6-[(3-methylimidazol-4-yl)methyl-methylsulfonylamino]-N,N-bis(2-methylpropyl)hexanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N-(2-methylpropyl)-3-(1,3-thiazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)propanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]-N,N-bis(2-methylpropyl)-3-phenylpropanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl(1,3-thiazol-5-ylmethyl)amino]-4-methyl-N,N-bis(2-methylpropyl)pentanamide.

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

The canonical SMILES for (2S)-2-(1-benzofuran-5-ylsulfonylamino)-6-[(3-methylimidazol-4-yl)methyl-methylsulfonylamino]-N,N-bis(2-methylpropyl)hexanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N-(2-methylpropyl)-3-(1,3-thiazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)propanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]-N,N-bis(2-methylpropyl)-3-phenylpropanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl(1,3-thiazol-5-ylmethyl)amino]-4-methyl-N,N-bis(2-methylpropyl)pentanamide is CC(C)CN(CC(C)C)C(=O)[C@H](CCCCN(Cc1cncn1C)S(C)(=O)=O)NS(=O)(=O)c1ccc2occc2c1.CC(C)CN(Cc1cscn1)C(=O)[C@H](Cc1cscn1)NS(=O)(=O)c1ccc2occc2c1.CC(C)C[C@@H](C(=O)N(CC(C)C)CC(C)C)N(Cc1cncs1)S(=O)(=O)c1ccc2occc2c1.Cc1cc(CN([C@@H](Cc2ccccc2)C(=O)N(CC(C)C)CC(C)C)S(=O)(=O)c2ccc3occc3c2)n(C)n1.

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

The InChIKey is FKHSFONLXHSPHN-JIWMKYJQSA-N. The full InChI is InChI=1S/C31H40N4O4S.C28H43N5O6S2.C26H37N3O4S2.C22H24N4O4S3/c1-22(2)19-34(20-23(3)4)31(36)29(17-25-10-8-7-9-11-25)35(21-27-16-24(5)32-33(27)6)40(37,38)28-12-13-30-26(18-28)14-15-39-30;1-21(2)17-32(18-22(3)4)28(34)26(30-41(37,38)25-10-11-27-23(15-25)12-14-39-27)9-7-8-13-33(40(6,35)36)19-24-16-29-20-31(24)5;1-18(2)11-24(26(30)28(14-19(3)4)15-20(5)6)29(16-22-13-27-17-34-22)35(31,32)23-7-8-25-21(12-23)9-10-33-25;1-15(2)9-26(10-18-12-32-14-24-18)22(27)20(8-17-11-31-13-23-17)25-33(28,29)19-3-4-21-16(7-19)5-6-30-21/h7-16,18,22-23,29H,17,19-21H2,1-6H3;10-12,14-16,20-22,26,30H,7-9,13,17-19H2,1-6H3;7-10,12-13,17-20,24H,11,14-16H2,1-6H3;3-7,11-15,20,25H,8-10H2,1-2H3/t29-;26-;24-;20-/m0000/s1.

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

(2S)-2-(1-benzofuran-5-ylsulfonylamino)-6-[(3-methylimidazol-4-yl)methyl-methylsulfonylamino]-N,N-bis(2-methylpropyl)hexanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N-(2-methylpropyl)-3-(1,3-thiazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)propanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]-N,N-bis(2-methylpropyl)-3-phenylpropanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl(1,3-thiazol-5-ylmethyl)amino]-4-methyl-N,N-bis(2-methylpropyl)pentanamide has a molecular weight of 2198.96 g/mol, XLogP of 18.56, 50 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-(1-benzofuran-5-ylsulfonylamino)-6-[(3-methylimidazol-4-yl)methyl-methylsulfonylamino]-N,N-bis(2-methylpropyl)hexanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N-(2-methylpropyl)-3-(1,3-thiazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)propanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]-N,N-bis(2-methylpropyl)-3-phenylpropanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl(1,3-thiazol-5-ylmethyl)amino]-4-methyl-N,N-bis(2-methylpropyl)pentanamide is sourced from PubChem (CID 158058086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).