N-cyclopropyl-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(thiophen-3-ylmethyl)acetamide

C21H21N3O3S — CID 47499465

About N-cyclopropyl-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(thiophen-3-ylmethyl)acetamide

N-cyclopropyl-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 47499465) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-cyclopropyl-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

• Compound Name: N-cyclopropyl-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(thiophen-3-ylmethyl)acetamide
• PubChem CID: 47499465
• Molecular Formula: C21H21N3O3S
• Molecular Weight: 395.48 g/mol
• Exact Mass: 395.13
• IUPAC Name: N-cyclopropyl-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(thiophen-3-ylmethyl)acetamide
• SMILES: O=C1NC2(CCc3ccccc32)C(=O)N1CC(=O)N(Cc1ccsc1)C1CC1
• InChI: InChI=1S/C21H21N3O3S/c25-18(23(16-5-6-16)11-14-8-10-28-13-14)12-24-19(26)21(22-20(24)27)9-7-15-3-1-2-4-17(15)21/h1-4,8,10,13,16H,5-7,9,11-12H2,(H,22,27)
• InChIKey: KKHUXDIFXYCJMR-UHFFFAOYSA-N
• XLogP: 2.63
• TPSA: 69.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.48
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(thiophen-3-ylmethyl)acetamide?

The IUPAC name of N-cyclopropyl-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(thiophen-3-ylmethyl)acetamide (CID 47499465) is N-cyclopropyl-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(thiophen-3-ylmethyl)acetamide.

What is the SMILES notation for N-cyclopropyl-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(thiophen-3-ylmethyl)acetamide?

The canonical SMILES for N-cyclopropyl-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(thiophen-3-ylmethyl)acetamide is O=C1NC2(CCc3ccccc32)C(=O)N1CC(=O)N(Cc1ccsc1)C1CC1.

What is the InChIKey of N-cyclopropyl-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(thiophen-3-ylmethyl)acetamide?

The InChIKey is KKHUXDIFXYCJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c25-18(23(16-5-6-16)11-14-8-10-28-13-14)12-24-19(26)21(22-20(24)27)9-7-15-3-1-2-4-17(15)21/h1-4,8,10,13,16H,5-7,9,11-12H2,(H,22,27).

What are the key properties of N-cyclopropyl-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(thiophen-3-ylmethyl)acetamide?

N-cyclopropyl-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 395.48 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 47499465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).