2-[(3R)-3-(3,5-difluorophenyl)-5-oxothiomorpholin-4-yl]-N-[(2R)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]acetamide

C24H22F2N4O4S — CID 25020208

About 2-[(3R)-3-(3,5-difluorophenyl)-5-oxothiomorpholin-4-yl]-N-[(2R)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]acetamide

2-[(3R)-3-(3,5-difluorophenyl)-5-oxothiomorpholin-4-yl]-N-[(2R)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]acetamide (PubChem CID 25020208) has the molecular formula C24H22F2N4O4S and a molecular weight of 500.53 g/mol. Its IUPAC name is 2-[(3R)-3-(3,5-difluorophenyl)-5-oxothiomorpholin-4-yl]-N-[(2R)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]acetamide.

Molecular Properties

• Compound Name: 2-[(3R)-3-(3,5-difluorophenyl)-5-oxothiomorpholin-4-yl]-N-[(2R)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]acetamide
• PubChem CID: 25020208
• Molecular Formula: C24H22F2N4O4S
• Molecular Weight: 500.53 g/mol
• Exact Mass: 500.13
• IUPAC Name: 2-[(3R)-3-(3,5-difluorophenyl)-5-oxothiomorpholin-4-yl]-N-[(2R)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]acetamide
• SMILES: CN1C(=O)NC(=O)[C@]12Cc1ccc(NC(=O)CN3C(=O)CSC[C@H]3c3cc(F)cc(F)c3)cc1C2
• InChI: InChI=1S/C24H22F2N4O4S/c1-29-23(34)28-22(33)24(29)8-13-2-3-18(6-15(13)9-24)27-20(31)10-30-19(11-35-12-21(30)32)14-4-16(25)7-17(26)5-14/h2-7,19H,8-12H2,1H3,(H,27,31)(H,28,33,34)/t19-,24+/m0/s1
• InChIKey: ROILNZSPKRHSCS-YADARESESA-N
• XLogP: 2.24
• TPSA: 98.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.53
LogP ≤ 5	2.24
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-[(3R)-3-(3,5-difluorophenyl)-5-oxothiomorpholin-4-yl]-N-[(2R)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]acetamide?

The IUPAC name of 2-[(3R)-3-(3,5-difluorophenyl)-5-oxothiomorpholin-4-yl]-N-[(2R)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]acetamide (CID 25020208) is 2-[(3R)-3-(3,5-difluorophenyl)-5-oxothiomorpholin-4-yl]-N-[(2R)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]acetamide.

What is the SMILES notation for 2-[(3R)-3-(3,5-difluorophenyl)-5-oxothiomorpholin-4-yl]-N-[(2R)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]acetamide?

The canonical SMILES for 2-[(3R)-3-(3,5-difluorophenyl)-5-oxothiomorpholin-4-yl]-N-[(2R)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]acetamide is CN1C(=O)NC(=O)[C@]12Cc1ccc(NC(=O)CN3C(=O)CSC[C@H]3c3cc(F)cc(F)c3)cc1C2.

What is the InChIKey of 2-[(3R)-3-(3,5-difluorophenyl)-5-oxothiomorpholin-4-yl]-N-[(2R)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]acetamide?

The InChIKey is ROILNZSPKRHSCS-YADARESESA-N. The full InChI is InChI=1S/C24H22F2N4O4S/c1-29-23(34)28-22(33)24(29)8-13-2-3-18(6-15(13)9-24)27-20(31)10-30-19(11-35-12-21(30)32)14-4-16(25)7-17(26)5-14/h2-7,19H,8-12H2,1H3,(H,27,31)(H,28,33,34)/t19-,24+/m0/s1.

What are the key properties of 2-[(3R)-3-(3,5-difluorophenyl)-5-oxothiomorpholin-4-yl]-N-[(2R)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]acetamide?

2-[(3R)-3-(3,5-difluorophenyl)-5-oxothiomorpholin-4-yl]-N-[(2R)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]acetamide has a molecular weight of 500.53 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3R)-3-(3,5-difluorophenyl)-5-oxothiomorpholin-4-yl]-N-[(2R)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]acetamide is sourced from PubChem (CID 25020208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).