2-[(6S)-3,3-dimethyl-6-(3-methylthiophen-2-yl)-2-oxopiperidin-1-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide

C26H30N4O4S — CID 25144228

About 2-[(6S)-3,3-dimethyl-6-(3-methylthiophen-2-yl)-2-oxopiperidin-1-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide

2-[(6S)-3,3-dimethyl-6-(3-methylthiophen-2-yl)-2-oxopiperidin-1-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide (PubChem CID 25144228) has the molecular formula C26H30N4O4S and a molecular weight of 494.62 g/mol. Its IUPAC name is 2-[(6S)-3,3-dimethyl-6-(3-methylthiophen-2-yl)-2-oxopiperidin-1-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide.

Molecular Properties

• Compound Name: 2-[(6S)-3,3-dimethyl-6-(3-methylthiophen-2-yl)-2-oxopiperidin-1-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide
• PubChem CID: 25144228
• Molecular Formula: C26H30N4O4S
• Molecular Weight: 494.62 g/mol
• Exact Mass: 494.20
• IUPAC Name: 2-[(6S)-3,3-dimethyl-6-(3-methylthiophen-2-yl)-2-oxopiperidin-1-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide
• SMILES: Cc1ccsc1[C@@H]1CCC(C)(C)C(=O)N1CC(=O)Nc1ccc2c(c1)CC1(C2)C(=O)NC(=O)N1C
• InChI: InChI=1S/C26H30N4O4S/c1-15-8-10-35-21(15)19-7-9-25(2,3)23(33)30(19)14-20(31)27-18-6-5-16-12-26(13-17(16)11-18)22(32)28-24(34)29(26)4/h5-6,8,10-11,19H,7,9,12-14H2,1-4H3,(H,27,31)(H,28,32,34)/t19-,26?/m0/s1
• InChIKey: JAAAAHYSOHTDHK-SXMXNQBWSA-N
• XLogP: 3.40
• TPSA: 98.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.62
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(6S)-3,3-dimethyl-6-(3-methylthiophen-2-yl)-2-oxopiperidin-1-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide?

The IUPAC name of 2-[(6S)-3,3-dimethyl-6-(3-methylthiophen-2-yl)-2-oxopiperidin-1-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide (CID 25144228) is 2-[(6S)-3,3-dimethyl-6-(3-methylthiophen-2-yl)-2-oxopiperidin-1-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide.

What is the SMILES notation for 2-[(6S)-3,3-dimethyl-6-(3-methylthiophen-2-yl)-2-oxopiperidin-1-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide?

The canonical SMILES for 2-[(6S)-3,3-dimethyl-6-(3-methylthiophen-2-yl)-2-oxopiperidin-1-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide is Cc1ccsc1[C@@H]1CCC(C)(C)C(=O)N1CC(=O)Nc1ccc2c(c1)CC1(C2)C(=O)NC(=O)N1C.

What is the InChIKey of 2-[(6S)-3,3-dimethyl-6-(3-methylthiophen-2-yl)-2-oxopiperidin-1-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide?

The InChIKey is JAAAAHYSOHTDHK-SXMXNQBWSA-N. The full InChI is InChI=1S/C26H30N4O4S/c1-15-8-10-35-21(15)19-7-9-25(2,3)23(33)30(19)14-20(31)27-18-6-5-16-12-26(13-17(16)11-18)22(32)28-24(34)29(26)4/h5-6,8,10-11,19H,7,9,12-14H2,1-4H3,(H,27,31)(H,28,32,34)/t19-,26?/m0/s1.

What are the key properties of 2-[(6S)-3,3-dimethyl-6-(3-methylthiophen-2-yl)-2-oxopiperidin-1-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide?

2-[(6S)-3,3-dimethyl-6-(3-methylthiophen-2-yl)-2-oxopiperidin-1-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide has a molecular weight of 494.62 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(6S)-3,3-dimethyl-6-(3-methylthiophen-2-yl)-2-oxopiperidin-1-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide is sourced from PubChem (CID 25144228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).