(3R)-3-[2-[(5R)-7-ethyl-2,7-diazaspiro[4.4]nonan-2-yl]-2-oxoethyl]-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione

C26H31N3O3S — CID 51901271

IUPAC(3R)-3-[2-[(5R)-7-ethyl-2,7-diazaspiro[4.4]nonan-2-yl]-2-oxoethyl]-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione
SMILESCCN1CC[C@@]2(CCN(C(=O)C[C@]3(c4ccccc4)CC(=O)N(Cc4cccs4)C3=O)C2)C1
InChIInChI=1S/C26H31N3O3S/c1-2-27-12-10-25(18-27)11-13-28(19-25)22(30)15-26(20-7-4-3-5-8-20)16-23(31)29(24(26)32)17-21-9-6-14-33-21/h3-9,14H,2,10-13,15-19H2,1H3/t25-,26-/m1/s1
InChIKeyOCDKNOUFGKIOOF-CLJLJLNGSA-N
MW465.62 g/mol
LogP3.28
Rot. Bonds6

About (3R)-3-[2-[(5R)-7-ethyl-2,7-diazaspiro[4.4]nonan-2-yl]-2-oxoethyl]-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione

(3R)-3-[2-[(5R)-7-ethyl-2,7-diazaspiro[4.4]nonan-2-yl]-2-oxoethyl]-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione (PubChem CID 51901271) has the molecular formula C26H31N3O3S and a molecular weight of 465.62 g/mol. Its IUPAC name is (3R)-3-[2-[(5R)-7-ethyl-2,7-diazaspiro[4.4]nonan-2-yl]-2-oxoethyl]-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-[2-[(5R)-7-ethyl-2,7-diazaspiro[4.4]nonan-2-yl]-2-oxoethyl]-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione
PubChem CID51901271
Molecular FormulaC26H31N3O3S
Molecular Weight465.62 g/mol
Exact Mass465.21
IUPAC Name(3R)-3-[2-[(5R)-7-ethyl-2,7-diazaspiro[4.4]nonan-2-yl]-2-oxoethyl]-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione
SMILESCCN1CC[C@@]2(CCN(C(=O)C[C@]3(c4ccccc4)CC(=O)N(Cc4cccs4)C3=O)C2)C1
InChIInChI=1S/C26H31N3O3S/c1-2-27-12-10-25(18-27)11-13-28(19-25)22(30)15-26(20-7-4-3-5-8-20)16-23(31)29(24(26)32)17-21-9-6-14-33-21/h3-9,14H,2,10-13,15-19H2,1H3/t25-,26-/m1/s1
InChIKeyOCDKNOUFGKIOOF-CLJLJLNGSA-N
XLogP3.28
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.62
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3R)-3-[2-[(5R)-7-ethyl-2,7-diazaspiro[4.4]nonan-2-yl]-2-oxoethyl]-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione with MolForge

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Related Compounds

3-[2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl]-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione
CID 45174758
(3R)-3-[2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl]-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione
CID 42437414
(3R)-3-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione
CID 42318183
2-[2,5-dioxo-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-N-methyl-N-(2-phenylethyl)acetamide
CID 45181207
2-[2,5-dioxo-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)-N-propan-2-ylacetamide
CID 45181634
(3R)-3-[2-oxo-2-[(2S)-2-pyridin-2-ylpiperidin-1-yl]ethyl]-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione
CID 42278222
2-[2,5-dioxo-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)acetamide
CID 56852159
2-[2,5-dioxo-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-N-methyl-N-[(5-propylpyrazolidin-3-yl)methyl]acetamide
CID 74806885
2-[(3S)-2,5-dioxo-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]-N-propylacetamide
CID 42320128
2-[2,5-dioxo-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-N-(oxolan-2-ylmethyl)-N-propylacetamide
CID 45170624
2-[(3S)-2,5-dioxo-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-N-methyl-N-[[(2S)-oxan-2-yl]methyl]acetamide
CID 42538014
(5R)-2-ethyl-3-oxo-N-phenyl-10-(thiophen-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
CID 97360284

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-[(5R)-7-ethyl-2,7-diazaspiro[4.4]nonan-2-yl]-2-oxoethyl]-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-[2-[(5R)-7-ethyl-2,7-diazaspiro[4.4]nonan-2-yl]-2-oxoethyl]-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione (CID 51901271) is (3R)-3-[2-[(5R)-7-ethyl-2,7-diazaspiro[4.4]nonan-2-yl]-2-oxoethyl]-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-[2-[(5R)-7-ethyl-2,7-diazaspiro[4.4]nonan-2-yl]-2-oxoethyl]-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-[2-[(5R)-7-ethyl-2,7-diazaspiro[4.4]nonan-2-yl]-2-oxoethyl]-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione is CCN1CC[C@@]2(CCN(C(=O)C[C@]3(c4ccccc4)CC(=O)N(Cc4cccs4)C3=O)C2)C1.
What is the InChIKey of (3R)-3-[2-[(5R)-7-ethyl-2,7-diazaspiro[4.4]nonan-2-yl]-2-oxoethyl]-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione?
The InChIKey is OCDKNOUFGKIOOF-CLJLJLNGSA-N. The full InChI is InChI=1S/C26H31N3O3S/c1-2-27-12-10-25(18-27)11-13-28(19-25)22(30)15-26(20-7-4-3-5-8-20)16-23(31)29(24(26)32)17-21-9-6-14-33-21/h3-9,14H,2,10-13,15-19H2,1H3/t25-,26-/m1/s1.
What are the key properties of (3R)-3-[2-[(5R)-7-ethyl-2,7-diazaspiro[4.4]nonan-2-yl]-2-oxoethyl]-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione?
(3R)-3-[2-[(5R)-7-ethyl-2,7-diazaspiro[4.4]nonan-2-yl]-2-oxoethyl]-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione has a molecular weight of 465.62 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-[(5R)-7-ethyl-2,7-diazaspiro[4.4]nonan-2-yl]-2-oxoethyl]-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 51901271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).