(2-oxo-2-thiophen-2-ylethyl) 2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetate

C19H16N2O6S — CID 7711524

IUPAC(2-oxo-2-thiophen-2-ylethyl) 2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetate
SMILESO=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)OCC(=O)c1cccs1
InChIInChI=1S/C19H16N2O6S/c22-13(15-6-3-9-28-15)11-27-16(23)10-21-17(24)19(20-18(21)25)7-8-26-14-5-2-1-4-12(14)19/h1-6,9H,7-8,10-11H2,(H,20,25)/t19-/m0/s1
InChIKeyRBBBOWQMBWHMKY-IBGZPJMESA-N
MW400.41 g/mol
LogP1.70
Rot. Bonds5

About (2-oxo-2-thiophen-2-ylethyl) 2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetate

(2-oxo-2-thiophen-2-ylethyl) 2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetate (PubChem CID 7711524) has the molecular formula C19H16N2O6S and a molecular weight of 400.41 g/mol. Its IUPAC name is (2-oxo-2-thiophen-2-ylethyl) 2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetate.

Molecular Properties

Compound Name(2-oxo-2-thiophen-2-ylethyl) 2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetate
PubChem CID7711524
Molecular FormulaC19H16N2O6S
Molecular Weight400.41 g/mol
Exact Mass400.07
IUPAC Name(2-oxo-2-thiophen-2-ylethyl) 2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetate
SMILESO=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)OCC(=O)c1cccs1
InChIInChI=1S/C19H16N2O6S/c22-13(15-6-3-9-28-15)11-27-16(23)10-21-17(24)19(20-18(21)25)7-8-26-14-5-2-1-4-12(14)19/h1-6,9H,7-8,10-11H2,(H,20,25)/t19-/m0/s1
InChIKeyRBBBOWQMBWHMKY-IBGZPJMESA-N
XLogP1.70
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.41
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetic acid
CID 3761688
[2-oxo-2-(pentan-3-ylamino)ethyl] 2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetate
CID 7711282
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetate
CID 7711218
(2-oxo-2-thiophen-2-ylethyl) 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7691440
(4-nitrophenyl)methyl 2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetate
CID 7711401
2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 43028497
(4R)-3'-[2-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 25362814
3'-[2-oxo-2-(4-phenoxyphenyl)ethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 46602131
3'-[2-(azepan-1-yl)-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 3527073
(4S)-3'-(2-oxo-2-piperidin-1-ylethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 2442760
2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
CID 46824856
(4S)-3'-[2-(4-tert-butylphenyl)-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 51488858

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-thiophen-2-ylethyl) 2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetate?
The IUPAC name of (2-oxo-2-thiophen-2-ylethyl) 2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetate (CID 7711524) is (2-oxo-2-thiophen-2-ylethyl) 2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetate.
What is the SMILES notation for (2-oxo-2-thiophen-2-ylethyl) 2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetate?
The canonical SMILES for (2-oxo-2-thiophen-2-ylethyl) 2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetate is O=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)OCC(=O)c1cccs1.
What is the InChIKey of (2-oxo-2-thiophen-2-ylethyl) 2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetate?
The InChIKey is RBBBOWQMBWHMKY-IBGZPJMESA-N. The full InChI is InChI=1S/C19H16N2O6S/c22-13(15-6-3-9-28-15)11-27-16(23)10-21-17(24)19(20-18(21)25)7-8-26-14-5-2-1-4-12(14)19/h1-6,9H,7-8,10-11H2,(H,20,25)/t19-/m0/s1.
What are the key properties of (2-oxo-2-thiophen-2-ylethyl) 2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetate?
(2-oxo-2-thiophen-2-ylethyl) 2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetate has a molecular weight of 400.41 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-thiophen-2-ylethyl) 2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetate is sourced from PubChem (CID 7711524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).