2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(4-methylsulfonylphenyl)acetamide

C20H19N3O5S — CID 51644980

IUPAC2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(4-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1ccc(NC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)cc1
InChIInChI=1S/C20H19N3O5S/c1-29(27,28)15-8-6-14(7-9-15)21-17(24)12-23-18(25)20(22-19(23)26)11-10-13-4-2-3-5-16(13)20/h2-9H,10-12H2,1H3,(H,21,24)(H,22,26)/t20-/m0/s1
InChIKeyXVYIPHZGBYLVLQ-FQEVSTJZSA-N
MW413.46 g/mol
LogP1.42
Rot. Bonds4

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

2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(4-methylsulfonylphenyl)acetamide (PubChem CID 51644980) has the molecular formula C20H19N3O5S and a molecular weight of 413.46 g/mol. Its IUPAC name is 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(4-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(4-methylsulfonylphenyl)acetamide
PubChem CID51644980
Molecular FormulaC20H19N3O5S
Molecular Weight413.46 g/mol
Exact Mass413.10
IUPAC Name2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(4-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1ccc(NC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)cc1
InChIInChI=1S/C20H19N3O5S/c1-29(27,28)15-8-6-14(7-9-15)21-17(24)12-23-18(25)20(22-19(23)26)11-10-13-4-2-3-5-16(13)20/h2-9H,10-12H2,1H3,(H,21,24)(H,22,26)/t20-/m0/s1
InChIKeyXVYIPHZGBYLVLQ-FQEVSTJZSA-N
XLogP1.42
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 3912493
2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(4-ethylphenyl)acetamide
CID 2702897
N-(4-acetamidophenyl)-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 7168506
4-[[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]amino]benzamide
CID 16552014
4-[[2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetyl]amino]-N,N-dimethylbenzamide
CID 2584376
N-(4-cyanophenyl)-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide
CID 2702932
2-(2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl)-N-phenylacetamide
CID 42964281
N-(4-bromophenyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide
CID 3356130
2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(4-phenylphenyl)acetamide
CID 25388429
2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 40720924
2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 4810150
N-(3,4-difluorophenyl)-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide
CID 2680838

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(4-methylsulfonylphenyl)acetamide?
The IUPAC name of 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(4-methylsulfonylphenyl)acetamide (CID 51644980) is 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(4-methylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(4-methylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(4-methylsulfonylphenyl)acetamide is CS(=O)(=O)c1ccc(NC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)cc1.
What is the InChIKey of 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(4-methylsulfonylphenyl)acetamide?
The InChIKey is XVYIPHZGBYLVLQ-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H19N3O5S/c1-29(27,28)15-8-6-14(7-9-15)21-17(24)12-23-18(25)20(22-19(23)26)11-10-13-4-2-3-5-16(13)20/h2-9H,10-12H2,1H3,(H,21,24)(H,22,26)/t20-/m0/s1.
What are the key properties of 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(4-methylsulfonylphenyl)acetamide?
2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(4-methylsulfonylphenyl)acetamide has a molecular weight of 413.46 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(4-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 51644980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).