[(1R)-1-(2-chlorophenyl)ethyl] 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2-chlorophenyl)ethyl] 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-propyltriazol-4-yl]acetate;[(1R)-1-(2-chlorophenyl)ethyl] 2-[5-[5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-[5-(cyanomethylsulfonylamino)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate

C80H85Cl3F2N22O16S4 — CID 162095373

About [(1R)-1-(2-chlorophenyl)ethyl] 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2-chlorophenyl)ethyl] 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-propyltriazol-4-yl]acetate;[(1R)-1-(2-chlorophenyl)ethyl] 2-[5-[5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-[5-(cyanomethylsulfonylamino)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate

[(1R)-1-(2-chlorophenyl)ethyl] 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2-chlorophenyl)ethyl] 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-propyltriazol-4-yl]acetate;[(1R)-1-(2-chlorophenyl)ethyl] 2-[5-[5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-[5-(cyanomethylsulfonylamino)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate (PubChem CID 162095373) has the molecular formula C80H85Cl3F2N22O16S4 and a molecular weight of 1883.32 g/mol. Its IUPAC name is [(1R)-1-(2-chlorophenyl)ethyl] 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2-chlorophenyl)ethyl] 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-propyltriazol-4-yl]acetate;[(1R)-1-(2-chlorophenyl)ethyl] 2-[5-[5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-[5-(cyanomethylsulfonylamino)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate.

Molecular Properties

• Compound Name: [(1R)-1-(2-chlorophenyl)ethyl] 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2-chlorophenyl)ethyl] 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-propyltriazol-4-yl]acetate;[(1R)-1-(2-chlorophenyl)ethyl] 2-[5-[5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-[5-(cyanomethylsulfonylamino)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate
• PubChem CID: 162095373
• Molecular Formula: C80H85Cl3F2N22O16S4
• Molecular Weight: 1883.32 g/mol
• Exact Mass: 1880.44
• IUPAC Name: [(1R)-1-(2-chlorophenyl)ethyl] 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2-chlorophenyl)ethyl] 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-propyltriazol-4-yl]acetate;[(1R)-1-(2-chlorophenyl)ethyl] 2-[5-[5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-[5-(cyanomethylsulfonylamino)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate
• SMILES: CCCn1nnc(-c2ccc(NS(C)(=O)=O)c(C)n2)c1CC(=O)O[C@H](C)c1ccccc1Cl.C[C@@H](OC(=O)Cc1c(-c2ccc(NS(C)(=O)=O)cn2)nnn1C)c1ccccc1Cl.Cc1nc(-c2nnn(C)c2CC(=O)O[C@H](C)c2ccccc2Cl)ccc1NS(C)(=O)=O.Cn1nnc(-c2ccc(NS(=O)(=O)CC#N)cn2)c1NC(=O)O[C@@H](c1ccccc1)C(F)F
• InChI: InChI=1S/C22H26ClN5O4S.C20H22ClN5O4S.C19H20ClN5O4S.C19H17F2N7O4S/c1-5-12-28-20(13-21(29)32-15(3)16-8-6-7-9-17(16)23)22(25-27-28)19-11-10-18(14(2)24-19)26-33(4,30)31;1-12-16(24-31(4,28)29)9-10-17(22-12)20-18(26(3)25-23-20)11-19(27)30-13(2)14-7-5-6-8-15(14)21;1-12(14-6-4-5-7-15(14)20)29-18(26)10-17-19(22-24-25(17)2)16-9-8-13(11-21-16)23-30(3,27)28;1-28-18(24-19(29)32-16(17(20)21)12-5-3-2-4-6-12)15(25-27-28)14-8-7-13(11-23-14)26-33(30,31)10-9-22/h6-11,15,26H,5,12-13H2,1-4H3;5-10,13,24H,11H2,1-4H3;4-9,11-12,23H,10H2,1-3H3;2-8,11,16-17,26H,10H2,1H3,(H,24,29)/t15-;13-;12-;16-/m1110/s1
• InChIKey: ZEEGHVZRUQUVTN-DJBWOQFESA-N
• XLogP: 12.43
• TPSA: 500.10 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 33
• Rotatable Bonds: 31
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1883.32
LogP ≤ 5	12.43
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(2-chlorophenyl)ethyl] 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2-chlorophenyl)ethyl] 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-propyltriazol-4-yl]acetate;[(1R)-1-(2-chlorophenyl)ethyl] 2-[5-[5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-[5-(cyanomethylsulfonylamino)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate?

The IUPAC name of [(1R)-1-(2-chlorophenyl)ethyl] 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2-chlorophenyl)ethyl] 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-propyltriazol-4-yl]acetate;[(1R)-1-(2-chlorophenyl)ethyl] 2-[5-[5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-[5-(cyanomethylsulfonylamino)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate (CID 162095373) is [(1R)-1-(2-chlorophenyl)ethyl] 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2-chlorophenyl)ethyl] 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-propyltriazol-4-yl]acetate;[(1R)-1-(2-chlorophenyl)ethyl] 2-[5-[5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-[5-(cyanomethylsulfonylamino)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate.

What is the SMILES notation for [(1R)-1-(2-chlorophenyl)ethyl] 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2-chlorophenyl)ethyl] 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-propyltriazol-4-yl]acetate;[(1R)-1-(2-chlorophenyl)ethyl] 2-[5-[5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-[5-(cyanomethylsulfonylamino)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate?

The canonical SMILES for [(1R)-1-(2-chlorophenyl)ethyl] 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2-chlorophenyl)ethyl] 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-propyltriazol-4-yl]acetate;[(1R)-1-(2-chlorophenyl)ethyl] 2-[5-[5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-[5-(cyanomethylsulfonylamino)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate is CCCn1nnc(-c2ccc(NS(C)(=O)=O)c(C)n2)c1CC(=O)O[C@H](C)c1ccccc1Cl.C[C@@H](OC(=O)Cc1c(-c2ccc(NS(C)(=O)=O)cn2)nnn1C)c1ccccc1Cl.Cc1nc(-c2nnn(C)c2CC(=O)O[C@H](C)c2ccccc2Cl)ccc1NS(C)(=O)=O.Cn1nnc(-c2ccc(NS(=O)(=O)CC#N)cn2)c1NC(=O)O[C@@H](c1ccccc1)C(F)F.

What is the InChIKey of [(1R)-1-(2-chlorophenyl)ethyl] 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2-chlorophenyl)ethyl] 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-propyltriazol-4-yl]acetate;[(1R)-1-(2-chlorophenyl)ethyl] 2-[5-[5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-[5-(cyanomethylsulfonylamino)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate?

The InChIKey is ZEEGHVZRUQUVTN-DJBWOQFESA-N. The full InChI is InChI=1S/C22H26ClN5O4S.C20H22ClN5O4S.C19H20ClN5O4S.C19H17F2N7O4S/c1-5-12-28-20(13-21(29)32-15(3)16-8-6-7-9-17(16)23)22(25-27-28)19-11-10-18(14(2)24-19)26-33(4,30)31;1-12-16(24-31(4,28)29)9-10-17(22-12)20-18(26(3)25-23-20)11-19(27)30-13(2)14-7-5-6-8-15(14)21;1-12(14-6-4-5-7-15(14)20)29-18(26)10-17-19(22-24-25(17)2)16-9-8-13(11-21-16)23-30(3,27)28;1-28-18(24-19(29)32-16(17(20)21)12-5-3-2-4-6-12)15(25-27-28)14-8-7-13(11-23-14)26-33(30,31)10-9-22/h6-11,15,26H,5,12-13H2,1-4H3;5-10,13,24H,11H2,1-4H3;4-9,11-12,23H,10H2,1-3H3;2-8,11,16-17,26H,10H2,1H3,(H,24,29)/t15-;13-;12-;16-/m1110/s1.

What are the key properties of [(1R)-1-(2-chlorophenyl)ethyl] 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2-chlorophenyl)ethyl] 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-propyltriazol-4-yl]acetate;[(1R)-1-(2-chlorophenyl)ethyl] 2-[5-[5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-[5-(cyanomethylsulfonylamino)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate?

[(1R)-1-(2-chlorophenyl)ethyl] 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2-chlorophenyl)ethyl] 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-propyltriazol-4-yl]acetate;[(1R)-1-(2-chlorophenyl)ethyl] 2-[5-[5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-[5-(cyanomethylsulfonylamino)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate has a molecular weight of 1883.32 g/mol, XLogP of 12.43, 31 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R)-1-(2-chlorophenyl)ethyl] 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1R)-1-(2-chlorophenyl)ethyl] 2-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-propyltriazol-4-yl]acetate;[(1R)-1-(2-chlorophenyl)ethyl] 2-[5-[5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]acetate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-[5-(cyanomethylsulfonylamino)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate is sourced from PubChem (CID 162095373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).