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

C26H26F2N4O4S — CID 25145494

IUPAC2-[(5S)-5-(3,5-difluorophenyl)-2,2-dimethyl-3-oxothiomorpholin-4-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide
SMILESCN1C(=O)NC(=O)C12Cc1ccc(NC(=O)CN3C(=O)C(C)(C)SC[C@@H]3c3cc(F)cc(F)c3)cc1C2
InChIInChI=1S/C26H26F2N4O4S/c1-25(2)23(35)32(20(13-37-25)15-6-17(27)9-18(28)7-15)12-21(33)29-19-5-4-14-10-26(11-16(14)8-19)22(34)30-24(36)31(26)3/h4-9,20H,10-13H2,1-3H3,(H,29,33)(H,30,34,36)/t20-,26?/m1/s1
InChIKeyOVCWEICEPMXWJV-TUHVGIAZSA-N
MW528.58 g/mol
LogP3.02
Rot. Bonds4

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

2-[(5S)-5-(3,5-difluorophenyl)-2,2-dimethyl-3-oxothiomorpholin-4-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide (PubChem CID 25145494) has the molecular formula C26H26F2N4O4S and a molecular weight of 528.58 g/mol. Its IUPAC name is 2-[(5S)-5-(3,5-difluorophenyl)-2,2-dimethyl-3-oxothiomorpholin-4-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide.

Molecular Properties

Compound Name2-[(5S)-5-(3,5-difluorophenyl)-2,2-dimethyl-3-oxothiomorpholin-4-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide
PubChem CID25145494
Molecular FormulaC26H26F2N4O4S
Molecular Weight528.58 g/mol
Exact Mass528.16
IUPAC Name2-[(5S)-5-(3,5-difluorophenyl)-2,2-dimethyl-3-oxothiomorpholin-4-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide
SMILESCN1C(=O)NC(=O)C12Cc1ccc(NC(=O)CN3C(=O)C(C)(C)SC[C@@H]3c3cc(F)cc(F)c3)cc1C2
InChIInChI=1S/C26H26F2N4O4S/c1-25(2)23(35)32(20(13-37-25)15-6-17(27)9-18(28)7-15)12-21(33)29-19-5-4-14-10-26(11-16(14)8-19)22(34)30-24(36)31(26)3/h4-9,20H,10-13H2,1-3H3,(H,29,33)(H,30,34,36)/t20-,26?/m1/s1
InChIKeyOVCWEICEPMXWJV-TUHVGIAZSA-N
XLogP3.02
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.58
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(5S)-5-(3,5-difluorophenyl)-2,2-dimethyl-3-oxothiomorpholin-4-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-5-(3,5-difluorophenyl)-2,2-dimethyl-3-oxothiomorpholin-4-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide?
The IUPAC name of 2-[(5S)-5-(3,5-difluorophenyl)-2,2-dimethyl-3-oxothiomorpholin-4-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide (CID 25145494) is 2-[(5S)-5-(3,5-difluorophenyl)-2,2-dimethyl-3-oxothiomorpholin-4-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide.
What is the SMILES notation for 2-[(5S)-5-(3,5-difluorophenyl)-2,2-dimethyl-3-oxothiomorpholin-4-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide?
The canonical SMILES for 2-[(5S)-5-(3,5-difluorophenyl)-2,2-dimethyl-3-oxothiomorpholin-4-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide is CN1C(=O)NC(=O)C12Cc1ccc(NC(=O)CN3C(=O)C(C)(C)SC[C@@H]3c3cc(F)cc(F)c3)cc1C2.
What is the InChIKey of 2-[(5S)-5-(3,5-difluorophenyl)-2,2-dimethyl-3-oxothiomorpholin-4-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide?
The InChIKey is OVCWEICEPMXWJV-TUHVGIAZSA-N. The full InChI is InChI=1S/C26H26F2N4O4S/c1-25(2)23(35)32(20(13-37-25)15-6-17(27)9-18(28)7-15)12-21(33)29-19-5-4-14-10-26(11-16(14)8-19)22(34)30-24(36)31(26)3/h4-9,20H,10-13H2,1-3H3,(H,29,33)(H,30,34,36)/t20-,26?/m1/s1.
What are the key properties of 2-[(5S)-5-(3,5-difluorophenyl)-2,2-dimethyl-3-oxothiomorpholin-4-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide?
2-[(5S)-5-(3,5-difluorophenyl)-2,2-dimethyl-3-oxothiomorpholin-4-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide has a molecular weight of 528.58 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-5-(3,5-difluorophenyl)-2,2-dimethyl-3-oxothiomorpholin-4-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide is sourced from PubChem (CID 25145494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).