2-[2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]ethyl]isoindole-1,3-dione

C20H22N2O3S — CID 8926032

IUPAC2-[2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCN(Cc1cccs1)C[C@H]1CCCO1
InChIInChI=1S/C20H22N2O3S/c23-19-17-7-1-2-8-18(17)20(24)22(19)10-9-21(13-15-5-3-11-25-15)14-16-6-4-12-26-16/h1-2,4,6-8,12,15H,3,5,9-11,13-14H2/t15-/m1/s1
InChIKeySWHMOIOKVPXLIG-OAHLLOKOSA-N
MW370.47 g/mol
LogP3.03
Rot. Bonds7

About 2-[2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]ethyl]isoindole-1,3-dione

2-[2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]ethyl]isoindole-1,3-dione (PubChem CID 8926032) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is 2-[2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]ethyl]isoindole-1,3-dione
PubChem CID8926032
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name2-[2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCN(Cc1cccs1)C[C@H]1CCCO1
InChIInChI=1S/C20H22N2O3S/c23-19-17-7-1-2-8-18(17)20(24)22(19)10-9-21(13-15-5-3-11-25-15)14-16-6-4-12-26-16/h1-2,4,6-8,12,15H,3,5,9-11,13-14H2/t15-/m1/s1
InChIKeySWHMOIOKVPXLIG-OAHLLOKOSA-N
XLogP3.03
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]ethyl]isoindole-1,3-dione with MolForge

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Related Compounds

3-(1,3-dioxoisoindol-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)propanamide
CID 9194353
1,3-dimethyl-6-[[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]pyrimidine-2,4-dione
CID 40881767
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)prop-2-en-1-amine
CID 78807506
1-[(2S)-oxolan-2-yl]-N-(pyridin-4-ylmethyl)-N-(thiophen-2-ylmethyl)methanamine
CID 95904603
8-methyl-3-[[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 26012278
2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]-N-(2-phenylphenyl)acetamide
CID 9055359
1-[2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetyl]imidazolidin-2-one
CID 9055527
1-[(2S)-oxolan-2-yl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-(thiophen-2-ylmethyl)methanamine
CID 39973516
1-[[(2R)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea
CID 95581392
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)methanesulfonamide
CID 60681211
[3-[[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]methyl]oxetan-3-yl]methanol
CID 111976537
N-(methylcarbamoyl)-2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055441

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]ethyl]isoindole-1,3-dione (CID 8926032) is 2-[2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]ethyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCN(Cc1cccs1)C[C@H]1CCCO1.
What is the InChIKey of 2-[2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]ethyl]isoindole-1,3-dione?
The InChIKey is SWHMOIOKVPXLIG-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H22N2O3S/c23-19-17-7-1-2-8-18(17)20(24)22(19)10-9-21(13-15-5-3-11-25-15)14-16-6-4-12-26-16/h1-2,4,6-8,12,15H,3,5,9-11,13-14H2/t15-/m1/s1.
What are the key properties of 2-[2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]ethyl]isoindole-1,3-dione?
2-[2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]ethyl]isoindole-1,3-dione has a molecular weight of 370.47 g/mol, XLogP of 3.03, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 8926032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).