2-[2-(cyclohexen-1-yl)-4-(2-ethylsulfonylethyl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-N,N-dimethylethanesulfonamide;2-[2-(cyclohexen-1-yl)-4-(morpholin-4-ylsulfonylmethyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-ethylsulfonylethyl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-N,N-dimethylethanesulfonamide

C119H143N13O16S5 — CID 157125943

About 2-[2-(cyclohexen-1-yl)-4-(2-ethylsulfonylethyl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-N,N-dimethylethanesulfonamide;2-[2-(cyclohexen-1-yl)-4-(morpholin-4-ylsulfonylmethyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-ethylsulfonylethyl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-N,N-dimethylethanesulfonamide

2-[2-(cyclohexen-1-yl)-4-(2-ethylsulfonylethyl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-N,N-dimethylethanesulfonamide;2-[2-(cyclohexen-1-yl)-4-(morpholin-4-ylsulfonylmethyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-ethylsulfonylethyl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-N,N-dimethylethanesulfonamide (PubChem CID 157125943) has the molecular formula C119H143N13O16S5 and a molecular weight of 2171.86 g/mol. Its IUPAC name is 2-[2-(cyclohexen-1-yl)-4-(2-ethylsulfonylethyl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-N,N-dimethylethanesulfonamide;2-[2-(cyclohexen-1-yl)-4-(morpholin-4-ylsulfonylmethyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-ethylsulfonylethyl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-N,N-dimethylethanesulfonamide.

Molecular Properties

• Compound Name: 2-[2-(cyclohexen-1-yl)-4-(2-ethylsulfonylethyl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-N,N-dimethylethanesulfonamide;2-[2-(cyclohexen-1-yl)-4-(morpholin-4-ylsulfonylmethyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-ethylsulfonylethyl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-N,N-dimethylethanesulfonamide
• PubChem CID: 157125943
• Molecular Formula: C119H143N13O16S5
• Molecular Weight: 2171.86 g/mol
• Exact Mass: 2169.94
• IUPAC Name: 2-[2-(cyclohexen-1-yl)-4-(2-ethylsulfonylethyl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-N,N-dimethylethanesulfonamide;2-[2-(cyclohexen-1-yl)-4-(morpholin-4-ylsulfonylmethyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-ethylsulfonylethyl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-N,N-dimethylethanesulfonamide
• SMILES: C#Cc1cnc(C(=O)Cc2ccc(CCS(=O)(=O)CC)cc2C2=CCC(C)(C)CC2)[nH]1.C#Cc1cnc(C(=O)Cc2ccc(CCS(=O)(=O)CC)cc2C2=CCCCC2)[nH]1.C#Cc1cnc(C(=O)Cc2ccc(CCS(=O)(=O)N(C)C)cc2C2=CCC(C)(C)CC2)[nH]1.C#Cc1cnc(C(=O)Cc2ccc(CCS(=O)(=O)N(C)C)cc2C2=CCCCC2)[nH]1.Cc1cnc(C(=O)Cc2ccc(CS(=O)(=O)N3CCOCC3)cc2C2=CCCCC2)[nH]1
• InChI: InChI=1S/C25H31N3O3S.C25H30N2O3S.C23H29N3O4S.C23H27N3O3S.C23H26N2O3S/c1-6-21-17-26-24(27-21)23(29)16-20-8-7-18(11-14-32(30,31)28(4)5)15-22(20)19-9-12-25(2,3)13-10-19;1-5-21-17-26-24(27-21)23(28)16-20-8-7-18(11-14-31(29,30)6-2)15-22(20)19-9-12-25(3,4)13-10-19;1-17-15-24-23(25-17)22(27)14-20-8-7-18(13-21(20)19-5-3-2-4-6-19)16-31(28,29)26-9-11-30-12-10-26;1-4-20-16-24-23(25-20)22(27)15-19-11-10-17(12-13-30(28,29)26(2)3)14-21(19)18-8-6-5-7-9-18;1-3-20-16-24-23(25-20)22(26)15-19-11-10-17(12-13-29(27,28)4-2)14-21(19)18-8-6-5-7-9-18/h1,7-9,15,17H,10-14,16H2,2-5H3,(H,26,27);1,7-9,15,17H,6,10-14,16H2,2-4H3,(H,26,27);5,7-8,13,15H,2-4,6,9-12,14,16H2,1H3,(H,24,25);1,8,10-11,14,16H,5-7,9,12-13,15H2,2-3H3,(H,24,25);1,8,10-11,14,16H,4-7,9,12-13,15H2,2H3,(H,24,25)
• InChIKey: AIMUARAPZXYPKN-UHFFFAOYSA-N
• XLogP: 18.45
• TPSA: 418.40 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Rotatable Bonds: 39
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2171.86
LogP ≤ 5	18.45
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexen-1-yl)-4-(2-ethylsulfonylethyl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-N,N-dimethylethanesulfonamide;2-[2-(cyclohexen-1-yl)-4-(morpholin-4-ylsulfonylmethyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-ethylsulfonylethyl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-N,N-dimethylethanesulfonamide?

The IUPAC name of 2-[2-(cyclohexen-1-yl)-4-(2-ethylsulfonylethyl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-N,N-dimethylethanesulfonamide;2-[2-(cyclohexen-1-yl)-4-(morpholin-4-ylsulfonylmethyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-ethylsulfonylethyl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-N,N-dimethylethanesulfonamide (CID 157125943) is 2-[2-(cyclohexen-1-yl)-4-(2-ethylsulfonylethyl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-N,N-dimethylethanesulfonamide;2-[2-(cyclohexen-1-yl)-4-(morpholin-4-ylsulfonylmethyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-ethylsulfonylethyl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-N,N-dimethylethanesulfonamide.

What is the SMILES notation for 2-[2-(cyclohexen-1-yl)-4-(2-ethylsulfonylethyl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-N,N-dimethylethanesulfonamide;2-[2-(cyclohexen-1-yl)-4-(morpholin-4-ylsulfonylmethyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-ethylsulfonylethyl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-N,N-dimethylethanesulfonamide?

The canonical SMILES for 2-[2-(cyclohexen-1-yl)-4-(2-ethylsulfonylethyl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-N,N-dimethylethanesulfonamide;2-[2-(cyclohexen-1-yl)-4-(morpholin-4-ylsulfonylmethyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-ethylsulfonylethyl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-N,N-dimethylethanesulfonamide is C#Cc1cnc(C(=O)Cc2ccc(CCS(=O)(=O)CC)cc2C2=CCC(C)(C)CC2)[nH]1.C#Cc1cnc(C(=O)Cc2ccc(CCS(=O)(=O)CC)cc2C2=CCCCC2)[nH]1.C#Cc1cnc(C(=O)Cc2ccc(CCS(=O)(=O)N(C)C)cc2C2=CCC(C)(C)CC2)[nH]1.C#Cc1cnc(C(=O)Cc2ccc(CCS(=O)(=O)N(C)C)cc2C2=CCCCC2)[nH]1.Cc1cnc(C(=O)Cc2ccc(CS(=O)(=O)N3CCOCC3)cc2C2=CCCCC2)[nH]1.

What is the InChIKey of 2-[2-(cyclohexen-1-yl)-4-(2-ethylsulfonylethyl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-N,N-dimethylethanesulfonamide;2-[2-(cyclohexen-1-yl)-4-(morpholin-4-ylsulfonylmethyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-ethylsulfonylethyl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-N,N-dimethylethanesulfonamide?

The InChIKey is AIMUARAPZXYPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3S.C25H30N2O3S.C23H29N3O4S.C23H27N3O3S.C23H26N2O3S/c1-6-21-17-26-24(27-21)23(29)16-20-8-7-18(11-14-32(30,31)28(4)5)15-22(20)19-9-12-25(2,3)13-10-19;1-5-21-17-26-24(27-21)23(28)16-20-8-7-18(11-14-31(29,30)6-2)15-22(20)19-9-12-25(3,4)13-10-19;1-17-15-24-23(25-17)22(27)14-20-8-7-18(13-21(20)19-5-3-2-4-6-19)16-31(28,29)26-9-11-30-12-10-26;1-4-20-16-24-23(25-20)22(27)15-19-11-10-17(12-13-30(28,29)26(2)3)14-21(19)18-8-6-5-7-9-18;1-3-20-16-24-23(25-20)22(26)15-19-11-10-17(12-13-29(27,28)4-2)14-21(19)18-8-6-5-7-9-18/h1,7-9,15,17H,10-14,16H2,2-5H3,(H,26,27);1,7-9,15,17H,6,10-14,16H2,2-4H3,(H,26,27);5,7-8,13,15H,2-4,6,9-12,14,16H2,1H3,(H,24,25);1,8,10-11,14,16H,5-7,9,12-13,15H2,2-3H3,(H,24,25);1,8,10-11,14,16H,4-7,9,12-13,15H2,2H3,(H,24,25).

What are the key properties of 2-[2-(cyclohexen-1-yl)-4-(2-ethylsulfonylethyl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-N,N-dimethylethanesulfonamide;2-[2-(cyclohexen-1-yl)-4-(morpholin-4-ylsulfonylmethyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-ethylsulfonylethyl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-N,N-dimethylethanesulfonamide?

2-[2-(cyclohexen-1-yl)-4-(2-ethylsulfonylethyl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-N,N-dimethylethanesulfonamide;2-[2-(cyclohexen-1-yl)-4-(morpholin-4-ylsulfonylmethyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-ethylsulfonylethyl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-N,N-dimethylethanesulfonamide has a molecular weight of 2171.86 g/mol, XLogP of 18.45, 39 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(cyclohexen-1-yl)-4-(2-ethylsulfonylethyl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-N,N-dimethylethanesulfonamide;2-[2-(cyclohexen-1-yl)-4-(morpholin-4-ylsulfonylmethyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-ethylsulfonylethyl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-N,N-dimethylethanesulfonamide is sourced from PubChem (CID 157125943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).