(2S)-2-[1-benzofuran-5-ylsulfonyl(methyl)amino]-4-[(1,5-dimethylpyrazol-3-yl)methyl-methylsulfonylamino]-N,N-bis(2-methylpropyl)butanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl-[(3-methylimidazol-4-yl)methyl]amino]-N,N-bis(2-methylpropyl)-3-phenylpropanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl-[2-(3-methylpyrazol-1-yl)ethyl]amino]-4-methyl-N,N-bis(2-methylpropyl)pentanamide;2-[1-benzofuran-5-ylsulfonyl(1,3-thiazol-5-ylmethyl)amino]-N,N-bis(2-methylpropyl)acetamide

C108H152N16O18S6 — CID 160646919

About (2S)-2-[1-benzofuran-5-ylsulfonyl(methyl)amino]-4-[(1,5-dimethylpyrazol-3-yl)methyl-methylsulfonylamino]-N,N-bis(2-methylpropyl)butanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl-[(3-methylimidazol-4-yl)methyl]amino]-N,N-bis(2-methylpropyl)-3-phenylpropanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl-[2-(3-methylpyrazol-1-yl)ethyl]amino]-4-methyl-N,N-bis(2-methylpropyl)pentanamide;2-[1-benzofuran-5-ylsulfonyl(1,3-thiazol-5-ylmethyl)amino]-N,N-bis(2-methylpropyl)acetamide

(2S)-2-[1-benzofuran-5-ylsulfonyl(methyl)amino]-4-[(1,5-dimethylpyrazol-3-yl)methyl-methylsulfonylamino]-N,N-bis(2-methylpropyl)butanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl-[(3-methylimidazol-4-yl)methyl]amino]-N,N-bis(2-methylpropyl)-3-phenylpropanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl-[2-(3-methylpyrazol-1-yl)ethyl]amino]-4-methyl-N,N-bis(2-methylpropyl)pentanamide;2-[1-benzofuran-5-ylsulfonyl(1,3-thiazol-5-ylmethyl)amino]-N,N-bis(2-methylpropyl)acetamide (PubChem CID 160646919) has the molecular formula C108H152N16O18S6 and a molecular weight of 2154.90 g/mol. Its IUPAC name is (2S)-2-[1-benzofuran-5-ylsulfonyl(methyl)amino]-4-[(1,5-dimethylpyrazol-3-yl)methyl-methylsulfonylamino]-N,N-bis(2-methylpropyl)butanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl-[(3-methylimidazol-4-yl)methyl]amino]-N,N-bis(2-methylpropyl)-3-phenylpropanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl-[2-(3-methylpyrazol-1-yl)ethyl]amino]-4-methyl-N,N-bis(2-methylpropyl)pentanamide;2-[1-benzofuran-5-ylsulfonyl(1,3-thiazol-5-ylmethyl)amino]-N,N-bis(2-methylpropyl)acetamide.

Molecular Properties

• Compound Name: (2S)-2-[1-benzofuran-5-ylsulfonyl(methyl)amino]-4-[(1,5-dimethylpyrazol-3-yl)methyl-methylsulfonylamino]-N,N-bis(2-methylpropyl)butanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl-[(3-methylimidazol-4-yl)methyl]amino]-N,N-bis(2-methylpropyl)-3-phenylpropanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl-[2-(3-methylpyrazol-1-yl)ethyl]amino]-4-methyl-N,N-bis(2-methylpropyl)pentanamide;2-[1-benzofuran-5-ylsulfonyl(1,3-thiazol-5-ylmethyl)amino]-N,N-bis(2-methylpropyl)acetamide
• PubChem CID: 160646919
• Molecular Formula: C108H152N16O18S6
• Molecular Weight: 2154.90 g/mol
• Exact Mass: 2152.98
• IUPAC Name: (2S)-2-[1-benzofuran-5-ylsulfonyl(methyl)amino]-4-[(1,5-dimethylpyrazol-3-yl)methyl-methylsulfonylamino]-N,N-bis(2-methylpropyl)butanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl-[(3-methylimidazol-4-yl)methyl]amino]-N,N-bis(2-methylpropyl)-3-phenylpropanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl-[2-(3-methylpyrazol-1-yl)ethyl]amino]-4-methyl-N,N-bis(2-methylpropyl)pentanamide;2-[1-benzofuran-5-ylsulfonyl(1,3-thiazol-5-ylmethyl)amino]-N,N-bis(2-methylpropyl)acetamide
• SMILES: CC(C)CN(CC(C)C)C(=O)CN(Cc1cncs1)S(=O)(=O)c1ccc2occc2c1.CC(C)CN(CC(C)C)C(=O)[C@H](Cc1ccccc1)N(Cc1cncn1C)S(=O)(=O)c1ccc2occc2c1.Cc1cc(CN(CC[C@@H](C(=O)N(CC(C)C)CC(C)C)N(C)S(=O)(=O)c2ccc3occc3c2)S(C)(=O)=O)nn1C.Cc1ccn(CCN([C@@H](CC(C)C)C(=O)N(CC(C)C)CC(C)C)S(=O)(=O)c2ccc3occc3c2)n1
• InChI: InChI=1S/C30H38N4O4S.C28H43N5O6S2.C28H42N4O4S.C22H29N3O4S2/c1-22(2)18-33(19-23(3)4)30(35)28(15-24-9-7-6-8-10-24)34(20-26-17-31-21-32(26)5)39(36,37)27-11-12-29-25(16-27)13-14-38-29;1-20(2)17-32(18-21(3)4)28(34)26(11-13-33(40(8,35)36)19-24-15-22(5)30(6)29-24)31(7)41(37,38)25-9-10-27-23(16-25)12-14-39-27;1-20(2)16-26(28(33)30(18-21(3)4)19-22(5)6)32(14-13-31-12-10-23(7)29-31)37(34,35)25-8-9-27-24(17-25)11-15-36-27;1-16(2)11-24(12-17(3)4)22(26)14-25(13-19-10-23-15-30-19)31(27,28)20-5-6-21-18(9-20)7-8-29-21/h6-14,16-17,21-23,28H,15,18-20H2,1-5H3;9-10,12,14-16,20-21,26H,11,13,17-19H2,1-8H3;8-12,15,17,20-22,26H,13-14,16,18-19H2,1-7H3;5-10,15-17H,11-14H2,1-4H3/t28-;2*26-;/m000./s1
• InChIKey: RJXCAGSMGNNZJG-YMLYDTSFSA-N
• XLogP: 17.97
• TPSA: 387.05 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 49
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2154.90
LogP ≤ 5	17.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-benzofuran-5-ylsulfonyl(methyl)amino]-4-[(1,5-dimethylpyrazol-3-yl)methyl-methylsulfonylamino]-N,N-bis(2-methylpropyl)butanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl-[(3-methylimidazol-4-yl)methyl]amino]-N,N-bis(2-methylpropyl)-3-phenylpropanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl-[2-(3-methylpyrazol-1-yl)ethyl]amino]-4-methyl-N,N-bis(2-methylpropyl)pentanamide;2-[1-benzofuran-5-ylsulfonyl(1,3-thiazol-5-ylmethyl)amino]-N,N-bis(2-methylpropyl)acetamide?

The IUPAC name of (2S)-2-[1-benzofuran-5-ylsulfonyl(methyl)amino]-4-[(1,5-dimethylpyrazol-3-yl)methyl-methylsulfonylamino]-N,N-bis(2-methylpropyl)butanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl-[(3-methylimidazol-4-yl)methyl]amino]-N,N-bis(2-methylpropyl)-3-phenylpropanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl-[2-(3-methylpyrazol-1-yl)ethyl]amino]-4-methyl-N,N-bis(2-methylpropyl)pentanamide;2-[1-benzofuran-5-ylsulfonyl(1,3-thiazol-5-ylmethyl)amino]-N,N-bis(2-methylpropyl)acetamide (CID 160646919) is (2S)-2-[1-benzofuran-5-ylsulfonyl(methyl)amino]-4-[(1,5-dimethylpyrazol-3-yl)methyl-methylsulfonylamino]-N,N-bis(2-methylpropyl)butanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl-[(3-methylimidazol-4-yl)methyl]amino]-N,N-bis(2-methylpropyl)-3-phenylpropanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl-[2-(3-methylpyrazol-1-yl)ethyl]amino]-4-methyl-N,N-bis(2-methylpropyl)pentanamide;2-[1-benzofuran-5-ylsulfonyl(1,3-thiazol-5-ylmethyl)amino]-N,N-bis(2-methylpropyl)acetamide.

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

The canonical SMILES for (2S)-2-[1-benzofuran-5-ylsulfonyl(methyl)amino]-4-[(1,5-dimethylpyrazol-3-yl)methyl-methylsulfonylamino]-N,N-bis(2-methylpropyl)butanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl-[(3-methylimidazol-4-yl)methyl]amino]-N,N-bis(2-methylpropyl)-3-phenylpropanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl-[2-(3-methylpyrazol-1-yl)ethyl]amino]-4-methyl-N,N-bis(2-methylpropyl)pentanamide;2-[1-benzofuran-5-ylsulfonyl(1,3-thiazol-5-ylmethyl)amino]-N,N-bis(2-methylpropyl)acetamide is CC(C)CN(CC(C)C)C(=O)CN(Cc1cncs1)S(=O)(=O)c1ccc2occc2c1.CC(C)CN(CC(C)C)C(=O)[C@H](Cc1ccccc1)N(Cc1cncn1C)S(=O)(=O)c1ccc2occc2c1.Cc1cc(CN(CC[C@@H](C(=O)N(CC(C)C)CC(C)C)N(C)S(=O)(=O)c2ccc3occc3c2)S(C)(=O)=O)nn1C.Cc1ccn(CCN([C@@H](CC(C)C)C(=O)N(CC(C)C)CC(C)C)S(=O)(=O)c2ccc3occc3c2)n1.

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

The InChIKey is RJXCAGSMGNNZJG-YMLYDTSFSA-N. The full InChI is InChI=1S/C30H38N4O4S.C28H43N5O6S2.C28H42N4O4S.C22H29N3O4S2/c1-22(2)18-33(19-23(3)4)30(35)28(15-24-9-7-6-8-10-24)34(20-26-17-31-21-32(26)5)39(36,37)27-11-12-29-25(16-27)13-14-38-29;1-20(2)17-32(18-21(3)4)28(34)26(11-13-33(40(8,35)36)19-24-15-22(5)30(6)29-24)31(7)41(37,38)25-9-10-27-23(16-25)12-14-39-27;1-20(2)16-26(28(33)30(18-21(3)4)19-22(5)6)32(14-13-31-12-10-23(7)29-31)37(34,35)25-8-9-27-24(17-25)11-15-36-27;1-16(2)11-24(12-17(3)4)22(26)14-25(13-19-10-23-15-30-19)31(27,28)20-5-6-21-18(9-20)7-8-29-21/h6-14,16-17,21-23,28H,15,18-20H2,1-5H3;9-10,12,14-16,20-21,26H,11,13,17-19H2,1-8H3;8-12,15,17,20-22,26H,13-14,16,18-19H2,1-7H3;5-10,15-17H,11-14H2,1-4H3/t28-;2*26-;/m000./s1.

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

(2S)-2-[1-benzofuran-5-ylsulfonyl(methyl)amino]-4-[(1,5-dimethylpyrazol-3-yl)methyl-methylsulfonylamino]-N,N-bis(2-methylpropyl)butanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl-[(3-methylimidazol-4-yl)methyl]amino]-N,N-bis(2-methylpropyl)-3-phenylpropanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl-[2-(3-methylpyrazol-1-yl)ethyl]amino]-4-methyl-N,N-bis(2-methylpropyl)pentanamide;2-[1-benzofuran-5-ylsulfonyl(1,3-thiazol-5-ylmethyl)amino]-N,N-bis(2-methylpropyl)acetamide has a molecular weight of 2154.90 g/mol, XLogP of 17.97, 49 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[1-benzofuran-5-ylsulfonyl(methyl)amino]-4-[(1,5-dimethylpyrazol-3-yl)methyl-methylsulfonylamino]-N,N-bis(2-methylpropyl)butanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl-[(3-methylimidazol-4-yl)methyl]amino]-N,N-bis(2-methylpropyl)-3-phenylpropanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl-[2-(3-methylpyrazol-1-yl)ethyl]amino]-4-methyl-N,N-bis(2-methylpropyl)pentanamide;2-[1-benzofuran-5-ylsulfonyl(1,3-thiazol-5-ylmethyl)amino]-N,N-bis(2-methylpropyl)acetamide is sourced from PubChem (CID 160646919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).