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

C23H24N4O5S — CID 41119093

IUPAC2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C23H24N4O5S/c28-20(24-17-7-5-8-18(14-17)33(31,32)26-12-3-4-13-26)15-27-21(29)23(25-22(27)30)11-10-16-6-1-2-9-19(16)23/h1-2,5-9,14H,3-4,10-13,15H2,(H,24,28)(H,25,30)/t23-/m0/s1
InChIKeyOBFXXQIGSYSVPW-QHCPKHFHSA-N
MW468.54 g/mol
LogP1.80
Rot. Bonds5

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

2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide (PubChem CID 41119093) has the molecular formula C23H24N4O5S and a molecular weight of 468.54 g/mol. Its IUPAC name is 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
PubChem CID41119093
Molecular FormulaC23H24N4O5S
Molecular Weight468.54 g/mol
Exact Mass468.15
IUPAC Name2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C23H24N4O5S/c28-20(24-17-7-5-8-18(14-17)33(31,32)26-12-3-4-13-26)15-27-21(29)23(25-22(27)30)11-10-16-6-1-2-9-19(16)23/h1-2,5-9,14H,3-4,10-13,15H2,(H,24,28)(H,25,30)/t23-/m0/s1
InChIKeyOBFXXQIGSYSVPW-QHCPKHFHSA-N
XLogP1.80
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.54
LogP ≤ 51.80
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
N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 98420390
2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 47093750
N-[3-(dimethylsulfamoyl)phenyl]-2-[(5S)-2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl]acetamide
CID 41209061
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(3-fluorophenyl)acetamide
CID 24979383
2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(3-iodophenyl)acetamide
CID 4810208
2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(3-fluorophenyl)acetamide
CID 2706138
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(3-ethylphenyl)acetamide
CID 16546281
2-(2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl)-N-phenylacetamide
CID 42964281
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[3-(methylaminomethyl)phenyl]acetamide
CID 166227552
2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(3-methoxyphenyl)acetamide
CID 2702844
N-(3-acetylphenyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide
CID 16544882

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide (CID 41119093) is 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide is O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is OBFXXQIGSYSVPW-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H24N4O5S/c28-20(24-17-7-5-8-18(14-17)33(31,32)26-12-3-4-13-26)15-27-21(29)23(25-22(27)30)11-10-16-6-1-2-9-19(16)23/h1-2,5-9,14H,3-4,10-13,15H2,(H,24,28)(H,25,30)/t23-/m0/s1.
What are the key properties of 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 468.54 g/mol, XLogP of 1.80, 5 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-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 41119093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).