N-(2,4-dimethylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(5-methyl-2-pyridinyl)acetamide;2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide

C119H134N22O14S5 — CID 161187150

About N-(2,4-dimethylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(5-methyl-2-pyridinyl)acetamide;2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide

N-(2,4-dimethylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(5-methyl-2-pyridinyl)acetamide;2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide (PubChem CID 161187150) has the molecular formula C119H134N22O14S5 and a molecular weight of 2256.86 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(5-methyl-2-pyridinyl)acetamide;2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide.

Molecular Properties

• Compound Name: N-(2,4-dimethylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(5-methyl-2-pyridinyl)acetamide;2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide
• PubChem CID: 161187150
• Molecular Formula: C119H134N22O14S5
• Molecular Weight: 2256.86 g/mol
• Exact Mass: 2254.91
• IUPAC Name: N-(2,4-dimethylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(5-methyl-2-pyridinyl)acetamide;2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide
• SMILES: Cc1cc(CSc2ccccc2C(=O)NCCNc2ncccn2)on1.Cc1ccc(CNC(=O)CN2CCN(C(=O)c3ccccc3SCc3cc(C)on3)CC2)cc1.Cc1ccc(NC(=O)CN2CCN(C(=O)c3ccccc3SCc3cc(C)on3)CC2)c(C)c1.Cc1ccc(NC(=O)CN2CCN(C(=O)c3ccccc3SCc3cc(C)on3)CC2)cc1.Cc1ccc(NC(=O)CN2CCN(C(=O)c3ccccc3SCc3cc(C)on3)CC2)nc1
• InChI: InChI=1S/2C26H30N4O3S.C25H28N4O3S.C24H27N5O3S.C18H19N5O2S/c1-18-8-9-23(19(2)14-18)27-25(31)16-29-10-12-30(13-11-29)26(32)22-6-4-5-7-24(22)34-17-21-15-20(3)33-28-21;1-19-7-9-21(10-8-19)16-27-25(31)17-29-11-13-30(14-12-29)26(32)23-5-3-4-6-24(23)34-18-22-15-20(2)33-28-22;1-18-7-9-20(10-8-18)26-24(30)16-28-11-13-29(14-12-28)25(31)22-5-3-4-6-23(22)33-17-21-15-19(2)32-27-21;1-17-7-8-22(25-14-17)26-23(30)15-28-9-11-29(12-10-28)24(31)20-5-3-4-6-21(20)33-16-19-13-18(2)32-27-19;1-13-11-14(25-23-13)12-26-16-6-3-2-5-15(16)17(24)19-9-10-22-18-20-7-4-8-21-18/h4-9,14-15H,10-13,16-17H2,1-3H3,(H,27,31);3-10,15H,11-14,16-18H2,1-2H3,(H,27,31);3-10,15H,11-14,16-17H2,1-2H3,(H,26,30);3-8,13-14H,9-12,15-16H2,1-2H3,(H,25,26,30);2-8,11H,9-10,12H2,1H3,(H,19,24)(H,20,21,22)
• InChIKey: UTFQRAIVBKETBZ-UHFFFAOYSA-N
• XLogP: 18.21
• TPSA: 420.55 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 32
• Rotatable Bonds: 37
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2256.86
LogP ≤ 5	18.21
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(5-methyl-2-pyridinyl)acetamide;2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide?

The IUPAC name of N-(2,4-dimethylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(5-methyl-2-pyridinyl)acetamide;2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide (CID 161187150) is N-(2,4-dimethylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(5-methyl-2-pyridinyl)acetamide;2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide.

What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(5-methyl-2-pyridinyl)acetamide;2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide?

The canonical SMILES for N-(2,4-dimethylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(5-methyl-2-pyridinyl)acetamide;2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide is Cc1cc(CSc2ccccc2C(=O)NCCNc2ncccn2)on1.Cc1ccc(CNC(=O)CN2CCN(C(=O)c3ccccc3SCc3cc(C)on3)CC2)cc1.Cc1ccc(NC(=O)CN2CCN(C(=O)c3ccccc3SCc3cc(C)on3)CC2)c(C)c1.Cc1ccc(NC(=O)CN2CCN(C(=O)c3ccccc3SCc3cc(C)on3)CC2)cc1.Cc1ccc(NC(=O)CN2CCN(C(=O)c3ccccc3SCc3cc(C)on3)CC2)nc1.

What is the InChIKey of N-(2,4-dimethylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(5-methyl-2-pyridinyl)acetamide;2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide?

The InChIKey is UTFQRAIVBKETBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H30N4O3S.C25H28N4O3S.C24H27N5O3S.C18H19N5O2S/c1-18-8-9-23(19(2)14-18)27-25(31)16-29-10-12-30(13-11-29)26(32)22-6-4-5-7-24(22)34-17-21-15-20(3)33-28-21;1-19-7-9-21(10-8-19)16-27-25(31)17-29-11-13-30(14-12-29)26(32)23-5-3-4-6-24(23)34-18-22-15-20(2)33-28-22;1-18-7-9-20(10-8-18)26-24(30)16-28-11-13-29(14-12-28)25(31)22-5-3-4-6-23(22)33-17-21-15-19(2)32-27-21;1-17-7-8-22(25-14-17)26-23(30)15-28-9-11-29(12-10-28)24(31)20-5-3-4-6-21(20)33-16-19-13-18(2)32-27-19;1-13-11-14(25-23-13)12-26-16-6-3-2-5-15(16)17(24)19-9-10-22-18-20-7-4-8-21-18/h4-9,14-15H,10-13,16-17H2,1-3H3,(H,27,31);3-10,15H,11-14,16-18H2,1-2H3,(H,27,31);3-10,15H,11-14,16-17H2,1-2H3,(H,26,30);3-8,13-14H,9-12,15-16H2,1-2H3,(H,25,26,30);2-8,11H,9-10,12H2,1H3,(H,19,24)(H,20,21,22).

What are the key properties of N-(2,4-dimethylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(5-methyl-2-pyridinyl)acetamide;2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide?

N-(2,4-dimethylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(5-methyl-2-pyridinyl)acetamide;2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide has a molecular weight of 2256.86 g/mol, XLogP of 18.21, 37 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,4-dimethylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(5-methyl-2-pyridinyl)acetamide;2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide is sourced from PubChem (CID 161187150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).