2-cyclohexyl-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-piperidin-4-ylacetamide;2,2,2-trifluoroacetaldehyde

C57H62F3N7O5S2 — CID 157418991

About 2-cyclohexyl-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-piperidin-4-ylacetamide;2,2,2-trifluoroacetaldehyde

2-cyclohexyl-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-piperidin-4-ylacetamide;2,2,2-trifluoroacetaldehyde (PubChem CID 157418991) has the molecular formula C57H62F3N7O5S2 and a molecular weight of 1046.29 g/mol. Its IUPAC name is 2-cyclohexyl-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-piperidin-4-ylacetamide;2,2,2-trifluoroacetaldehyde.

Molecular Properties

• Compound Name: 2-cyclohexyl-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-piperidin-4-ylacetamide;2,2,2-trifluoroacetaldehyde
• PubChem CID: 157418991
• Molecular Formula: C57H62F3N7O5S2
• Molecular Weight: 1046.29 g/mol
• Exact Mass: 1045.42
• IUPAC Name: 2-cyclohexyl-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-piperidin-4-ylacetamide;2,2,2-trifluoroacetaldehyde
• SMILES: Cc1ccccc1C(=O)N1CCc2cc(-c3nc(NC(=O)CC4CCCCC4)sc3C)ccc21.Cc1ccccc1C(=O)N1CCc2cc(-c3nc(NC(=O)CC4CCNCC4)sc3C)ccc21.O=CC(F)(F)F
• InChI: InChI=1S/C28H31N3O2S.C27H30N4O2S.C2HF3O/c1-18-8-6-7-11-23(18)27(33)31-15-14-21-17-22(12-13-24(21)31)26-19(2)34-28(30-26)29-25(32)16-20-9-4-3-5-10-20;1-17-5-3-4-6-22(17)26(33)31-14-11-20-16-21(7-8-23(20)31)25-18(2)34-27(30-25)29-24(32)15-19-9-12-28-13-10-19;3-2(4,5)1-6/h6-8,11-13,17,20H,3-5,9-10,14-16H2,1-2H3,(H,29,30,32);3-8,16,19,28H,9-15H2,1-2H3,(H,29,30,32);1H
• InChIKey: BPEMCEBEHRWBSM-UHFFFAOYSA-N
• XLogP: 12.24
• TPSA: 153.70 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1046.29
LogP ≤ 5	12.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-piperidin-4-ylacetamide;2,2,2-trifluoroacetaldehyde?

The IUPAC name of 2-cyclohexyl-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-piperidin-4-ylacetamide;2,2,2-trifluoroacetaldehyde (CID 157418991) is 2-cyclohexyl-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-piperidin-4-ylacetamide;2,2,2-trifluoroacetaldehyde.

What is the SMILES notation for 2-cyclohexyl-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-piperidin-4-ylacetamide;2,2,2-trifluoroacetaldehyde?

The canonical SMILES for 2-cyclohexyl-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-piperidin-4-ylacetamide;2,2,2-trifluoroacetaldehyde is Cc1ccccc1C(=O)N1CCc2cc(-c3nc(NC(=O)CC4CCCCC4)sc3C)ccc21.Cc1ccccc1C(=O)N1CCc2cc(-c3nc(NC(=O)CC4CCNCC4)sc3C)ccc21.O=CC(F)(F)F.

What is the InChIKey of 2-cyclohexyl-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-piperidin-4-ylacetamide;2,2,2-trifluoroacetaldehyde?

The InChIKey is BPEMCEBEHRWBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O2S.C27H30N4O2S.C2HF3O/c1-18-8-6-7-11-23(18)27(33)31-15-14-21-17-22(12-13-24(21)31)26-19(2)34-28(30-26)29-25(32)16-20-9-4-3-5-10-20;1-17-5-3-4-6-22(17)26(33)31-14-11-20-16-21(7-8-23(20)31)25-18(2)34-27(30-25)29-24(32)15-19-9-12-28-13-10-19;3-2(4,5)1-6/h6-8,11-13,17,20H,3-5,9-10,14-16H2,1-2H3,(H,29,30,32);3-8,16,19,28H,9-15H2,1-2H3,(H,29,30,32);1H.

What are the key properties of 2-cyclohexyl-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-piperidin-4-ylacetamide;2,2,2-trifluoroacetaldehyde?

2-cyclohexyl-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-piperidin-4-ylacetamide;2,2,2-trifluoroacetaldehyde has a molecular weight of 1046.29 g/mol, XLogP of 12.24, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclohexyl-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-piperidin-4-ylacetamide;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 157418991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).