(2S)-2-(1-benzofuran-5-ylsulfonylamino)-3-[1-(1-benzofuran-5-ylsulfonyl)imidazol-4-yl]-N,N-bis(2-methylpropyl)propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-3-(3-propan-2-yl-1H-pyrazol-5-yl)propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-3-pyridin-3-ylpropanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-methyl-N,N-bis(2-methylpropyl)-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]butanediamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-3-(3-methylimidazol-4-yl)-N,N-bis(2-methylpropyl)propanamide

C128H169N19O24S7 — CID 161099281

About (2S)-2-(1-benzofuran-5-ylsulfonylamino)-3-[1-(1-benzofuran-5-ylsulfonyl)imidazol-4-yl]-N,N-bis(2-methylpropyl)propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-3-(3-propan-2-yl-1H-pyrazol-5-yl)propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-3-pyridin-3-ylpropanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-methyl-N,N-bis(2-methylpropyl)-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]butanediamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-3-(3-methylimidazol-4-yl)-N,N-bis(2-methylpropyl)propanamide

(2S)-2-(1-benzofuran-5-ylsulfonylamino)-3-[1-(1-benzofuran-5-ylsulfonyl)imidazol-4-yl]-N,N-bis(2-methylpropyl)propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-3-(3-propan-2-yl-1H-pyrazol-5-yl)propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-3-pyridin-3-ylpropanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-methyl-N,N-bis(2-methylpropyl)-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]butanediamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-3-(3-methylimidazol-4-yl)-N,N-bis(2-methylpropyl)propanamide (PubChem CID 161099281) has the molecular formula C128H169N19O24S7 and a molecular weight of 2582.34 g/mol. Its IUPAC name is (2S)-2-(1-benzofuran-5-ylsulfonylamino)-3-[1-(1-benzofuran-5-ylsulfonyl)imidazol-4-yl]-N,N-bis(2-methylpropyl)propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-3-(3-propan-2-yl-1H-pyrazol-5-yl)propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-3-pyridin-3-ylpropanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-methyl-N,N-bis(2-methylpropyl)-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]butanediamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-3-(3-methylimidazol-4-yl)-N,N-bis(2-methylpropyl)propanamide.

Molecular Properties

• Compound Name: (2S)-2-(1-benzofuran-5-ylsulfonylamino)-3-[1-(1-benzofuran-5-ylsulfonyl)imidazol-4-yl]-N,N-bis(2-methylpropyl)propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-3-(3-propan-2-yl-1H-pyrazol-5-yl)propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-3-pyridin-3-ylpropanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-methyl-N,N-bis(2-methylpropyl)-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]butanediamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-3-(3-methylimidazol-4-yl)-N,N-bis(2-methylpropyl)propanamide
• PubChem CID: 161099281
• Molecular Formula: C128H169N19O24S7
• Molecular Weight: 2582.34 g/mol
• Exact Mass: 2580.06
• IUPAC Name: (2S)-2-(1-benzofuran-5-ylsulfonylamino)-3-[1-(1-benzofuran-5-ylsulfonyl)imidazol-4-yl]-N,N-bis(2-methylpropyl)propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-3-(3-propan-2-yl-1H-pyrazol-5-yl)propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-3-pyridin-3-ylpropanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-methyl-N,N-bis(2-methylpropyl)-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]butanediamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-3-(3-methylimidazol-4-yl)-N,N-bis(2-methylpropyl)propanamide
• SMILES: CC(C)CN(CC(C)C)C(=O)[C@H](Cc1cc(C(C)C)n[nH]1)NS(=O)(=O)c1ccc2occc2c1.CC(C)CN(CC(C)C)C(=O)[C@H](Cc1cccnc1)NS(=O)(=O)c1ccc2occc2c1.CC(C)CN(CC(C)C)C(=O)[C@H](Cc1cn(S(=O)(=O)c2ccc3occc3c2)cn1)NS(=O)(=O)c1ccc2occc2c1.CC(C)CN(CC(C)C)C(=O)[C@H](Cc1cncn1C)NS(=O)(=O)c1ccc2occc2c1.Cc1nc(CN(C)C(=O)C[C@H](NS(=O)(=O)c2ccc3occc3c2)C(=O)N(CC(C)C)CC(C)C)cs1
• InChI: InChI=1S/C30H34N4O7S2.C26H36N4O5S2.C25H36N4O4S.C24H31N3O4S.C23H32N4O4S/c1-20(2)16-33(17-21(3)4)30(35)27(32-42(36,37)25-5-7-28-22(13-25)9-11-40-28)15-24-18-34(19-31-24)43(38,39)26-6-8-29-23(14-26)10-12-41-29;1-17(2)13-30(14-18(3)4)26(32)23(12-25(31)29(6)15-21-16-36-19(5)27-21)28-37(33,34)22-7-8-24-20(11-22)9-10-35-24;1-16(2)14-29(15-17(3)4)25(30)23(13-20-12-22(18(5)6)27-26-20)28-34(31,32)21-7-8-24-19(11-21)9-10-33-24;1-17(2)15-27(16-18(3)4)24(28)22(12-19-6-5-10-25-14-19)26-32(29,30)21-7-8-23-20(13-21)9-11-31-23;1-16(2)13-27(14-17(3)4)23(28)21(11-19-12-24-15-26(19)5)25-32(29,30)20-6-7-22-18(10-20)8-9-31-22/h5-14,18-21,27,32H,15-17H2,1-4H3;7-11,16-18,23,28H,12-15H2,1-6H3;7-12,16-18,23,28H,13-15H2,1-6H3,(H,26,27);5-11,13-14,17-18,22,26H,12,15-16H2,1-4H3;6-10,12,15-17,21,25H,11,13-14H2,1-5H3/t27-;2*23-;22-;21-/m00000/s1
• InChIKey: UIFFOHUIOIDAND-XLZUOLFCSA-N
• XLogP: 20.04
• TPSA: 555.79 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 32
• Rotatable Bonds: 55
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2582.34
LogP ≤ 5	20.04
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-benzofuran-5-ylsulfonylamino)-3-[1-(1-benzofuran-5-ylsulfonyl)imidazol-4-yl]-N,N-bis(2-methylpropyl)propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-3-(3-propan-2-yl-1H-pyrazol-5-yl)propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-3-pyridin-3-ylpropanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-methyl-N,N-bis(2-methylpropyl)-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]butanediamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-3-(3-methylimidazol-4-yl)-N,N-bis(2-methylpropyl)propanamide?

The IUPAC name of (2S)-2-(1-benzofuran-5-ylsulfonylamino)-3-[1-(1-benzofuran-5-ylsulfonyl)imidazol-4-yl]-N,N-bis(2-methylpropyl)propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-3-(3-propan-2-yl-1H-pyrazol-5-yl)propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-3-pyridin-3-ylpropanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-methyl-N,N-bis(2-methylpropyl)-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]butanediamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-3-(3-methylimidazol-4-yl)-N,N-bis(2-methylpropyl)propanamide (CID 161099281) is (2S)-2-(1-benzofuran-5-ylsulfonylamino)-3-[1-(1-benzofuran-5-ylsulfonyl)imidazol-4-yl]-N,N-bis(2-methylpropyl)propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-3-(3-propan-2-yl-1H-pyrazol-5-yl)propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-3-pyridin-3-ylpropanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-methyl-N,N-bis(2-methylpropyl)-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]butanediamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-3-(3-methylimidazol-4-yl)-N,N-bis(2-methylpropyl)propanamide.

What is the SMILES notation for (2S)-2-(1-benzofuran-5-ylsulfonylamino)-3-[1-(1-benzofuran-5-ylsulfonyl)imidazol-4-yl]-N,N-bis(2-methylpropyl)propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-3-(3-propan-2-yl-1H-pyrazol-5-yl)propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-3-pyridin-3-ylpropanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-methyl-N,N-bis(2-methylpropyl)-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]butanediamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-3-(3-methylimidazol-4-yl)-N,N-bis(2-methylpropyl)propanamide?

The canonical SMILES for (2S)-2-(1-benzofuran-5-ylsulfonylamino)-3-[1-(1-benzofuran-5-ylsulfonyl)imidazol-4-yl]-N,N-bis(2-methylpropyl)propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-3-(3-propan-2-yl-1H-pyrazol-5-yl)propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-3-pyridin-3-ylpropanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-methyl-N,N-bis(2-methylpropyl)-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]butanediamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-3-(3-methylimidazol-4-yl)-N,N-bis(2-methylpropyl)propanamide is CC(C)CN(CC(C)C)C(=O)[C@H](Cc1cc(C(C)C)n[nH]1)NS(=O)(=O)c1ccc2occc2c1.CC(C)CN(CC(C)C)C(=O)[C@H](Cc1cccnc1)NS(=O)(=O)c1ccc2occc2c1.CC(C)CN(CC(C)C)C(=O)[C@H](Cc1cn(S(=O)(=O)c2ccc3occc3c2)cn1)NS(=O)(=O)c1ccc2occc2c1.CC(C)CN(CC(C)C)C(=O)[C@H](Cc1cncn1C)NS(=O)(=O)c1ccc2occc2c1.Cc1nc(CN(C)C(=O)C[C@H](NS(=O)(=O)c2ccc3occc3c2)C(=O)N(CC(C)C)CC(C)C)cs1.

What is the InChIKey of (2S)-2-(1-benzofuran-5-ylsulfonylamino)-3-[1-(1-benzofuran-5-ylsulfonyl)imidazol-4-yl]-N,N-bis(2-methylpropyl)propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-3-(3-propan-2-yl-1H-pyrazol-5-yl)propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-3-pyridin-3-ylpropanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-methyl-N,N-bis(2-methylpropyl)-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]butanediamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-3-(3-methylimidazol-4-yl)-N,N-bis(2-methylpropyl)propanamide?

The InChIKey is UIFFOHUIOIDAND-XLZUOLFCSA-N. The full InChI is InChI=1S/C30H34N4O7S2.C26H36N4O5S2.C25H36N4O4S.C24H31N3O4S.C23H32N4O4S/c1-20(2)16-33(17-21(3)4)30(35)27(32-42(36,37)25-5-7-28-22(13-25)9-11-40-28)15-24-18-34(19-31-24)43(38,39)26-6-8-29-23(14-26)10-12-41-29;1-17(2)13-30(14-18(3)4)26(32)23(12-25(31)29(6)15-21-16-36-19(5)27-21)28-37(33,34)22-7-8-24-20(11-22)9-10-35-24;1-16(2)14-29(15-17(3)4)25(30)23(13-20-12-22(18(5)6)27-26-20)28-34(31,32)21-7-8-24-19(11-21)9-10-33-24;1-17(2)15-27(16-18(3)4)24(28)22(12-19-6-5-10-25-14-19)26-32(29,30)21-7-8-23-20(13-21)9-11-31-23;1-16(2)13-27(14-17(3)4)23(28)21(11-19-12-24-15-26(19)5)25-32(29,30)20-6-7-22-18(10-20)8-9-31-22/h5-14,18-21,27,32H,15-17H2,1-4H3;7-11,16-18,23,28H,12-15H2,1-6H3;7-12,16-18,23,28H,13-15H2,1-6H3,(H,26,27);5-11,13-14,17-18,22,26H,12,15-16H2,1-4H3;6-10,12,15-17,21,25H,11,13-14H2,1-5H3/t27-;2*23-;22-;21-/m00000/s1.

What are the key properties of (2S)-2-(1-benzofuran-5-ylsulfonylamino)-3-[1-(1-benzofuran-5-ylsulfonyl)imidazol-4-yl]-N,N-bis(2-methylpropyl)propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-3-(3-propan-2-yl-1H-pyrazol-5-yl)propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-3-pyridin-3-ylpropanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-methyl-N,N-bis(2-methylpropyl)-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]butanediamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-3-(3-methylimidazol-4-yl)-N,N-bis(2-methylpropyl)propanamide?

(2S)-2-(1-benzofuran-5-ylsulfonylamino)-3-[1-(1-benzofuran-5-ylsulfonyl)imidazol-4-yl]-N,N-bis(2-methylpropyl)propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-3-(3-propan-2-yl-1H-pyrazol-5-yl)propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-3-pyridin-3-ylpropanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-methyl-N,N-bis(2-methylpropyl)-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]butanediamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-3-(3-methylimidazol-4-yl)-N,N-bis(2-methylpropyl)propanamide has a molecular weight of 2582.34 g/mol, XLogP of 20.04, 55 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-(1-benzofuran-5-ylsulfonylamino)-3-[1-(1-benzofuran-5-ylsulfonyl)imidazol-4-yl]-N,N-bis(2-methylpropyl)propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-3-(3-propan-2-yl-1H-pyrazol-5-yl)propanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-3-pyridin-3-ylpropanamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-methyl-N,N-bis(2-methylpropyl)-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]butanediamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-3-(3-methylimidazol-4-yl)-N,N-bis(2-methylpropyl)propanamide is sourced from PubChem (CID 161099281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).