2-[2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]ethyl]isoindole-1,3-dione

C22H20N2O2S — CID 8866970

IUPAC2-[2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]ethyl]isoindole-1,3-dione
SMILESCc1ccc([C@@H](NCCN2C(=O)c3ccccc3C2=O)c2cccs2)cc1
InChIInChI=1S/C22H20N2O2S/c1-15-8-10-16(11-9-15)20(19-7-4-14-27-19)23-12-13-24-21(25)17-5-2-3-6-18(17)22(24)26/h2-11,14,20,23H,12-13H2,1H3/t20-/m1/s1
InChIKeyFKVJFZAJPXKSMB-HXUWFJFHSA-N
MW376.48 g/mol
LogP4.03
Rot. Bonds6

About 2-[2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]ethyl]isoindole-1,3-dione

2-[2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]ethyl]isoindole-1,3-dione (PubChem CID 8866970) has the molecular formula C22H20N2O2S and a molecular weight of 376.48 g/mol. Its IUPAC name is 2-[2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]ethyl]isoindole-1,3-dione
PubChem CID8866970
Molecular FormulaC22H20N2O2S
Molecular Weight376.48 g/mol
Exact Mass376.12
IUPAC Name2-[2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]ethyl]isoindole-1,3-dione
SMILESCc1ccc([C@@H](NCCN2C(=O)c3ccccc3C2=O)c2cccs2)cc1
InChIInChI=1S/C22H20N2O2S/c1-15-8-10-16(11-9-15)20(19-7-4-14-27-19)23-12-13-24-21(25)17-5-2-3-6-18(17)22(24)26/h2-11,14,20,23H,12-13H2,1H3/t20-/m1/s1
InChIKeyFKVJFZAJPXKSMB-HXUWFJFHSA-N
XLogP4.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]ethyl]isoindole-1,3-dione with MolForge

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Related Compounds

3-(1,3-dioxoisoindol-2-yl)-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]propanamide
CID 8854781
N-(2-bromophenyl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 9051902
N-[(4-methylphenyl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine
CID 43224410
2-[2-(1-pyridin-4-ylethylamino)ethyl]isoindole-1,3-dione
CID 69293401
3-(1,3-dioxoisoindol-2-yl)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 8797989
2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 8868329
3-(1,3-dioxoisoindol-2-yl)-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide
CID 8797996
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 25480851
N-(3-methylbutyl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 8867294
3-(1,3-dioxoisoindol-2-yl)-N-[(1S)-1-thiophen-2-ylethyl]propanamide
CID 51534434
N-[(4-methylphenyl)-thiophen-2-ylmethyl]-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 46824366
N-[(4-phenylphenyl)-thiophen-2-ylmethyl]ethanamine
CID 43489570

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]ethyl]isoindole-1,3-dione (CID 8866970) is 2-[2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]ethyl]isoindole-1,3-dione is Cc1ccc([C@@H](NCCN2C(=O)c3ccccc3C2=O)c2cccs2)cc1.
What is the InChIKey of 2-[2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]ethyl]isoindole-1,3-dione?
The InChIKey is FKVJFZAJPXKSMB-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H20N2O2S/c1-15-8-10-16(11-9-15)20(19-7-4-14-27-19)23-12-13-24-21(25)17-5-2-3-6-18(17)22(24)26/h2-11,14,20,23H,12-13H2,1H3/t20-/m1/s1.
What are the key properties of 2-[2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]ethyl]isoindole-1,3-dione?
2-[2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]ethyl]isoindole-1,3-dione has a molecular weight of 376.48 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 8866970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).