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

C20H19N3O3S — CID 40857362

IUPAC2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O
InChIInChI=1S/C20H19N3O3S/c1-27-16-9-5-4-8-15(16)21-17(24)12-23-18(25)20(22-19(23)26)11-10-13-6-2-3-7-14(13)20/h2-9H,10-12H2,1H3,(H,21,24)(H,22,26)/t20-/m0/s1
InChIKeySXYARTYOWZGOKU-FQEVSTJZSA-N
MW381.46 g/mol
LogP2.74
Rot. Bonds4

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

2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(2-methylsulfanylphenyl)acetamide (PubChem CID 40857362) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(2-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(2-methylsulfanylphenyl)acetamide
PubChem CID40857362
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O
InChIInChI=1S/C20H19N3O3S/c1-27-16-9-5-4-8-15(16)21-17(24)12-23-18(25)20(22-19(23)26)11-10-13-6-2-3-7-14(13)20/h2-9H,10-12H2,1H3,(H,21,24)(H,22,26)/t20-/m0/s1
InChIKeySXYARTYOWZGOKU-FQEVSTJZSA-N
XLogP2.74
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(2-fluorophenyl)acetamide
CID 2680854
2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(2-ethylphenyl)acetamide
CID 41077087
N-(2-acetylphenyl)-2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide
CID 2702812
2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(2-methylphenyl)acetamide
CID 2706018
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride
CID 119439952
2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7859107
2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(4-fluoro-2-methylphenyl)acetamide
CID 41144879
N-(2,4-difluorophenyl)-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide
CID 2429438
N-[2-[(2R)-butan-2-yl]phenyl]-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 7240543
N-(2-chloro-3-pyridinyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide
CID 4289491
N-(4-bromo-2-methylphenyl)-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide
CID 51447053
2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(4-ethylphenyl)acetamide
CID 2702897

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(2-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(2-methylsulfanylphenyl)acetamide (CID 40857362) is 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(2-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(2-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(2-methylsulfanylphenyl)acetamide is CSc1ccccc1NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O.
What is the InChIKey of 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(2-methylsulfanylphenyl)acetamide?
The InChIKey is SXYARTYOWZGOKU-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-27-16-9-5-4-8-15(16)21-17(24)12-23-18(25)20(22-19(23)26)11-10-13-6-2-3-7-14(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-(2-methylsulfanylphenyl)acetamide?
2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(2-methylsulfanylphenyl)acetamide has a molecular weight of 381.46 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 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-(2-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 40857362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).