3-[methyl(thiophen-3-ylmethyl)amino]-1-(2-phenylethyl)pyrrolidine-2,5-dione

C18H20N2O2S — CID 42885435

IUPAC3-[methyl(thiophen-3-ylmethyl)amino]-1-(2-phenylethyl)pyrrolidine-2,5-dione
SMILESCN(Cc1ccsc1)C1CC(=O)N(CCc2ccccc2)C1=O
InChIInChI=1S/C18H20N2O2S/c1-19(12-15-8-10-23-13-15)16-11-17(21)20(18(16)22)9-7-14-5-3-2-4-6-14/h2-6,8,10,13,16H,7,9,11-12H2,1H3
InChIKeyLWJLEUQHRQDYSZ-UHFFFAOYSA-N
MW328.44 g/mol
LogP2.55
Rot. Bonds6

About 3-[methyl(thiophen-3-ylmethyl)amino]-1-(2-phenylethyl)pyrrolidine-2,5-dione

3-[methyl(thiophen-3-ylmethyl)amino]-1-(2-phenylethyl)pyrrolidine-2,5-dione (PubChem CID 42885435) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 3-[methyl(thiophen-3-ylmethyl)amino]-1-(2-phenylethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[methyl(thiophen-3-ylmethyl)amino]-1-(2-phenylethyl)pyrrolidine-2,5-dione
PubChem CID42885435
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name3-[methyl(thiophen-3-ylmethyl)amino]-1-(2-phenylethyl)pyrrolidine-2,5-dione
SMILESCN(Cc1ccsc1)C1CC(=O)N(CCc2ccccc2)C1=O
InChIInChI=1S/C18H20N2O2S/c1-19(12-15-8-10-23-13-15)16-11-17(21)20(18(16)22)9-7-14-5-3-2-4-6-14/h2-6,8,10,13,16H,7,9,11-12H2,1H3
InChIKeyLWJLEUQHRQDYSZ-UHFFFAOYSA-N
XLogP2.55
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl(thiophen-3-ylmethyl)amino]-1-(2-phenylethyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-[methyl(thiophen-3-ylmethyl)amino]-1-(2-phenylethyl)pyrrolidine-2,5-dione (CID 42885435) is 3-[methyl(thiophen-3-ylmethyl)amino]-1-(2-phenylethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[methyl(thiophen-3-ylmethyl)amino]-1-(2-phenylethyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-[methyl(thiophen-3-ylmethyl)amino]-1-(2-phenylethyl)pyrrolidine-2,5-dione is CN(Cc1ccsc1)C1CC(=O)N(CCc2ccccc2)C1=O.
What is the InChIKey of 3-[methyl(thiophen-3-ylmethyl)amino]-1-(2-phenylethyl)pyrrolidine-2,5-dione?
The InChIKey is LWJLEUQHRQDYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-19(12-15-8-10-23-13-15)16-11-17(21)20(18(16)22)9-7-14-5-3-2-4-6-14/h2-6,8,10,13,16H,7,9,11-12H2,1H3.
What are the key properties of 3-[methyl(thiophen-3-ylmethyl)amino]-1-(2-phenylethyl)pyrrolidine-2,5-dione?
3-[methyl(thiophen-3-ylmethyl)amino]-1-(2-phenylethyl)pyrrolidine-2,5-dione has a molecular weight of 328.44 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(thiophen-3-ylmethyl)amino]-1-(2-phenylethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 42885435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).