(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N'-methyl-N,N-bis(2-methylpropyl)butanediamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-6-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl-methylsulfonylamino]-N,N-bis(2-methylpropyl)hexanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl(1,3-thiazol-5-ylmethyl)amino]-N,N-bis(2-methylpropyl)-3-(1,3-thiazol-4-yl)propanamide;1,3-thiazol-5-ylmethyl N-[(3S)-3-(1-benzofuran-5-ylsulfonylamino)-4-[bis(2-methylpropyl)amino]-4-oxobutyl]carbamate

C107H148N16O21S10 — CID 158515252

About (2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N'-methyl-N,N-bis(2-methylpropyl)butanediamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-6-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl-methylsulfonylamino]-N,N-bis(2-methylpropyl)hexanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl(1,3-thiazol-5-ylmethyl)amino]-N,N-bis(2-methylpropyl)-3-(1,3-thiazol-4-yl)propanamide;1,3-thiazol-5-ylmethyl N-[(3S)-3-(1-benzofuran-5-ylsulfonylamino)-4-[bis(2-methylpropyl)amino]-4-oxobutyl]carbamate

(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N'-methyl-N,N-bis(2-methylpropyl)butanediamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-6-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl-methylsulfonylamino]-N,N-bis(2-methylpropyl)hexanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl(1,3-thiazol-5-ylmethyl)amino]-N,N-bis(2-methylpropyl)-3-(1,3-thiazol-4-yl)propanamide;1,3-thiazol-5-ylmethyl N-[(3S)-3-(1-benzofuran-5-ylsulfonylamino)-4-[bis(2-methylpropyl)amino]-4-oxobutyl]carbamate (PubChem CID 158515252) has the molecular formula C107H148N16O21S10 and a molecular weight of 2315.12 g/mol. Its IUPAC name is (2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N'-methyl-N,N-bis(2-methylpropyl)butanediamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-6-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl-methylsulfonylamino]-N,N-bis(2-methylpropyl)hexanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl(1,3-thiazol-5-ylmethyl)amino]-N,N-bis(2-methylpropyl)-3-(1,3-thiazol-4-yl)propanamide;1,3-thiazol-5-ylmethyl N-[(3S)-3-(1-benzofuran-5-ylsulfonylamino)-4-[bis(2-methylpropyl)amino]-4-oxobutyl]carbamate.

Molecular Properties

• Compound Name: (2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N'-methyl-N,N-bis(2-methylpropyl)butanediamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-6-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl-methylsulfonylamino]-N,N-bis(2-methylpropyl)hexanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl(1,3-thiazol-5-ylmethyl)amino]-N,N-bis(2-methylpropyl)-3-(1,3-thiazol-4-yl)propanamide;1,3-thiazol-5-ylmethyl N-[(3S)-3-(1-benzofuran-5-ylsulfonylamino)-4-[bis(2-methylpropyl)amino]-4-oxobutyl]carbamate
• PubChem CID: 158515252
• Molecular Formula: C107H148N16O21S10
• Molecular Weight: 2315.12 g/mol
• Exact Mass: 2312.82
• IUPAC Name: (2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N'-methyl-N,N-bis(2-methylpropyl)butanediamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-6-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl-methylsulfonylamino]-N,N-bis(2-methylpropyl)hexanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl(1,3-thiazol-5-ylmethyl)amino]-N,N-bis(2-methylpropyl)-3-(1,3-thiazol-4-yl)propanamide;1,3-thiazol-5-ylmethyl N-[(3S)-3-(1-benzofuran-5-ylsulfonylamino)-4-[bis(2-methylpropyl)amino]-4-oxobutyl]carbamate
• SMILES: CC(C)CN(CC(C)C)C(=O)[C@H](CCNC(=O)OCc1cncs1)NS(=O)(=O)c1ccc2occc2c1.CC(C)CN(CC(C)C)C(=O)[C@H](Cc1cscn1)N(Cc1cncs1)S(=O)(=O)c1ccc2occc2c1.Cc1nc(C)c(CN(C)C(=O)C[C@H](NS(=O)(=O)c2ccc3occc3c2)C(=O)N(CC(C)C)CC(C)C)s1.Cc1nc(C)c(CN(CCCC[C@H](NS(=O)(=O)c2ccc3occc3c2)C(=O)N(CC(C)C)CC(C)C)S(C)(=O)=O)s1
• InChI: InChI=1S/C29H44N4O6S3.C27H38N4O5S2.C26H32N4O4S3.C25H34N4O6S2/c1-20(2)17-32(18-21(3)4)29(34)26(31-42(37,38)25-11-12-27-24(16-25)13-15-39-27)10-8-9-14-33(41(7,35)36)19-28-22(5)30-23(6)40-28;1-17(2)14-31(15-18(3)4)27(33)23(13-26(32)30(7)16-25-19(5)28-20(6)37-25)29-38(34,35)22-8-9-24-21(12-22)10-11-36-24;1-18(2)12-29(13-19(3)4)26(31)24(10-21-15-35-17-28-21)30(14-22-11-27-16-36-22)37(32,33)23-5-6-25-20(9-23)7-8-34-25;1-17(2)13-29(14-18(3)4)24(30)22(7-9-27-25(31)35-15-20-12-26-16-36-20)28-37(32,33)21-5-6-23-19(11-21)8-10-34-23/h11-13,15-16,20-21,26,31H,8-10,14,17-19H2,1-7H3;8-12,17-18,23,29H,13-16H2,1-7H3;5-9,11,15-19,24H,10,12-14H2,1-4H3;5-6,8,10-12,16-18,22,28H,7,9,13-15H2,1-4H3,(H,27,31)/t26-;23-;24-;22-/m0000/s1
• InChIKey: HLNYJAMCCFOCRC-GWZKQNIDSA-N
• XLogP: 18.55
• TPSA: 470.16 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 31
• Rotatable Bonds: 53
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2315.12
LogP ≤ 5	18.55
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	31

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)-N'-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N'-methyl-N,N-bis(2-methylpropyl)butanediamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-6-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl-methylsulfonylamino]-N,N-bis(2-methylpropyl)hexanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl(1,3-thiazol-5-ylmethyl)amino]-N,N-bis(2-methylpropyl)-3-(1,3-thiazol-4-yl)propanamide;1,3-thiazol-5-ylmethyl N-[(3S)-3-(1-benzofuran-5-ylsulfonylamino)-4-[bis(2-methylpropyl)amino]-4-oxobutyl]carbamate?

The IUPAC name of (2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N'-methyl-N,N-bis(2-methylpropyl)butanediamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-6-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl-methylsulfonylamino]-N,N-bis(2-methylpropyl)hexanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl(1,3-thiazol-5-ylmethyl)amino]-N,N-bis(2-methylpropyl)-3-(1,3-thiazol-4-yl)propanamide;1,3-thiazol-5-ylmethyl N-[(3S)-3-(1-benzofuran-5-ylsulfonylamino)-4-[bis(2-methylpropyl)amino]-4-oxobutyl]carbamate (CID 158515252) is (2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N'-methyl-N,N-bis(2-methylpropyl)butanediamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-6-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl-methylsulfonylamino]-N,N-bis(2-methylpropyl)hexanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl(1,3-thiazol-5-ylmethyl)amino]-N,N-bis(2-methylpropyl)-3-(1,3-thiazol-4-yl)propanamide;1,3-thiazol-5-ylmethyl N-[(3S)-3-(1-benzofuran-5-ylsulfonylamino)-4-[bis(2-methylpropyl)amino]-4-oxobutyl]carbamate.

What is the SMILES notation for (2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N'-methyl-N,N-bis(2-methylpropyl)butanediamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-6-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl-methylsulfonylamino]-N,N-bis(2-methylpropyl)hexanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl(1,3-thiazol-5-ylmethyl)amino]-N,N-bis(2-methylpropyl)-3-(1,3-thiazol-4-yl)propanamide;1,3-thiazol-5-ylmethyl N-[(3S)-3-(1-benzofuran-5-ylsulfonylamino)-4-[bis(2-methylpropyl)amino]-4-oxobutyl]carbamate?

The canonical SMILES for (2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N'-methyl-N,N-bis(2-methylpropyl)butanediamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-6-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl-methylsulfonylamino]-N,N-bis(2-methylpropyl)hexanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl(1,3-thiazol-5-ylmethyl)amino]-N,N-bis(2-methylpropyl)-3-(1,3-thiazol-4-yl)propanamide;1,3-thiazol-5-ylmethyl N-[(3S)-3-(1-benzofuran-5-ylsulfonylamino)-4-[bis(2-methylpropyl)amino]-4-oxobutyl]carbamate is CC(C)CN(CC(C)C)C(=O)[C@H](CCNC(=O)OCc1cncs1)NS(=O)(=O)c1ccc2occc2c1.CC(C)CN(CC(C)C)C(=O)[C@H](Cc1cscn1)N(Cc1cncs1)S(=O)(=O)c1ccc2occc2c1.Cc1nc(C)c(CN(C)C(=O)C[C@H](NS(=O)(=O)c2ccc3occc3c2)C(=O)N(CC(C)C)CC(C)C)s1.Cc1nc(C)c(CN(CCCC[C@H](NS(=O)(=O)c2ccc3occc3c2)C(=O)N(CC(C)C)CC(C)C)S(C)(=O)=O)s1.

What is the InChIKey of (2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N'-methyl-N,N-bis(2-methylpropyl)butanediamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-6-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl-methylsulfonylamino]-N,N-bis(2-methylpropyl)hexanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl(1,3-thiazol-5-ylmethyl)amino]-N,N-bis(2-methylpropyl)-3-(1,3-thiazol-4-yl)propanamide;1,3-thiazol-5-ylmethyl N-[(3S)-3-(1-benzofuran-5-ylsulfonylamino)-4-[bis(2-methylpropyl)amino]-4-oxobutyl]carbamate?

The InChIKey is HLNYJAMCCFOCRC-GWZKQNIDSA-N. The full InChI is InChI=1S/C29H44N4O6S3.C27H38N4O5S2.C26H32N4O4S3.C25H34N4O6S2/c1-20(2)17-32(18-21(3)4)29(34)26(31-42(37,38)25-11-12-27-24(16-25)13-15-39-27)10-8-9-14-33(41(7,35)36)19-28-22(5)30-23(6)40-28;1-17(2)14-31(15-18(3)4)27(33)23(13-26(32)30(7)16-25-19(5)28-20(6)37-25)29-38(34,35)22-8-9-24-21(12-22)10-11-36-24;1-18(2)12-29(13-19(3)4)26(31)24(10-21-15-35-17-28-21)30(14-22-11-27-16-36-22)37(32,33)23-5-6-25-20(9-23)7-8-34-25;1-17(2)13-29(14-18(3)4)24(30)22(7-9-27-25(31)35-15-20-12-26-16-36-20)28-37(32,33)21-5-6-23-19(11-21)8-10-34-23/h11-13,15-16,20-21,26,31H,8-10,14,17-19H2,1-7H3;8-12,17-18,23,29H,13-16H2,1-7H3;5-9,11,15-19,24H,10,12-14H2,1-4H3;5-6,8,10-12,16-18,22,28H,7,9,13-15H2,1-4H3,(H,27,31)/t26-;23-;24-;22-/m0000/s1.

What are the key properties of (2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N'-methyl-N,N-bis(2-methylpropyl)butanediamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-6-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl-methylsulfonylamino]-N,N-bis(2-methylpropyl)hexanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl(1,3-thiazol-5-ylmethyl)amino]-N,N-bis(2-methylpropyl)-3-(1,3-thiazol-4-yl)propanamide;1,3-thiazol-5-ylmethyl N-[(3S)-3-(1-benzofuran-5-ylsulfonylamino)-4-[bis(2-methylpropyl)amino]-4-oxobutyl]carbamate?

(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N'-methyl-N,N-bis(2-methylpropyl)butanediamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-6-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl-methylsulfonylamino]-N,N-bis(2-methylpropyl)hexanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl(1,3-thiazol-5-ylmethyl)amino]-N,N-bis(2-methylpropyl)-3-(1,3-thiazol-4-yl)propanamide;1,3-thiazol-5-ylmethyl N-[(3S)-3-(1-benzofuran-5-ylsulfonylamino)-4-[bis(2-methylpropyl)amino]-4-oxobutyl]carbamate has a molecular weight of 2315.12 g/mol, XLogP of 18.55, 53 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-(1-benzofuran-5-ylsulfonylamino)-N'-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N'-methyl-N,N-bis(2-methylpropyl)butanediamide;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-6-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl-methylsulfonylamino]-N,N-bis(2-methylpropyl)hexanamide;(2S)-2-[1-benzofuran-5-ylsulfonyl(1,3-thiazol-5-ylmethyl)amino]-N,N-bis(2-methylpropyl)-3-(1,3-thiazol-4-yl)propanamide;1,3-thiazol-5-ylmethyl N-[(3S)-3-(1-benzofuran-5-ylsulfonylamino)-4-[bis(2-methylpropyl)amino]-4-oxobutyl]carbamate is sourced from PubChem (CID 158515252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).