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

C16H16N2O2S — CID 167958699

IUPAC2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]isoindole-1,3-dione
SMILESCCN(Cc1cccs1)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H16N2O2S/c1-2-17(10-12-6-5-9-21-12)11-18-15(19)13-7-3-4-8-14(13)16(18)20/h3-9H,2,10-11H2,1H3
InChIKeyCOYWOUVSPHJCTR-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.82
Rot. Bonds5

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

2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]isoindole-1,3-dione (PubChem CID 167958699) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]isoindole-1,3-dione
PubChem CID167958699
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]isoindole-1,3-dione
SMILESCCN(Cc1cccs1)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H16N2O2S/c1-2-17(10-12-6-5-9-21-12)11-18-15(19)13-7-3-4-8-14(13)16(18)20/h3-9H,2,10-11H2,1H3
InChIKeyCOYWOUVSPHJCTR-UHFFFAOYSA-N
XLogP2.82
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(1,3-dioxoisoindol-2-yl)-N,N-bis(thiophen-2-ylmethyl)propanamide
CID 46401942
2-(10-thiophen-2-yldecyl)isoindole-1,3-dione
CID 22115174
2-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]isoindole-1,3-dione
CID 79390707
2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-(2-thiophen-2-ylethyl)acetamide
CID 110733447
2-[2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]ethyl]isoindole-1,3-dione
CID 8926032
2-benzyl-N-ethyl-1,3-dioxo-N-(thiophen-2-ylmethyl)isoindole-5-carboxamide
CID 46430983
1-N,2-diethyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 79814982
2-(1,3-dioxoisoindol-2-yl)ethyl-bis(thiophen-2-ylmethyl)azanium
CID 8800688
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 47021814
2-[ethyl(thiophen-2-ylmethyl)amino]-N-(2-phenylphenyl)acetamide
CID 8718330
N,N'-diethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 10512741
4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]aniline
CID 43458870

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]isoindole-1,3-dione (CID 167958699) is 2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]isoindole-1,3-dione is CCN(Cc1cccs1)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]isoindole-1,3-dione?
The InChIKey is COYWOUVSPHJCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-2-17(10-12-6-5-9-21-12)11-18-15(19)13-7-3-4-8-14(13)16(18)20/h3-9H,2,10-11H2,1H3.
What are the key properties of 2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]isoindole-1,3-dione?
2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]isoindole-1,3-dione has a molecular weight of 300.38 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]isoindole-1,3-dione is sourced from PubChem (CID 167958699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).