3-[benzyl(ethyl)amino]-1-(furan-2-ylmethyl)-4-thiophen-2-ylpyrrole-2,5-dione

C22H20N2O3S — CID 110552658

IUPAC3-[benzyl(ethyl)amino]-1-(furan-2-ylmethyl)-4-thiophen-2-ylpyrrole-2,5-dione
SMILESCCN(Cc1ccccc1)C1=C(c2cccs2)C(=O)N(Cc2ccco2)C1=O
InChIInChI=1S/C22H20N2O3S/c1-2-23(14-16-8-4-3-5-9-16)20-19(18-11-7-13-28-18)21(25)24(22(20)26)15-17-10-6-12-27-17/h3-13H,2,14-15H2,1H3
InChIKeyYWATWBFQRCBISQ-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.14
Rot. Bonds7

About 3-[benzyl(ethyl)amino]-1-(furan-2-ylmethyl)-4-thiophen-2-ylpyrrole-2,5-dione

3-[benzyl(ethyl)amino]-1-(furan-2-ylmethyl)-4-thiophen-2-ylpyrrole-2,5-dione (PubChem CID 110552658) has the molecular formula C22H20N2O3S and a molecular weight of 392.48 g/mol. Its IUPAC name is 3-[benzyl(ethyl)amino]-1-(furan-2-ylmethyl)-4-thiophen-2-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-[benzyl(ethyl)amino]-1-(furan-2-ylmethyl)-4-thiophen-2-ylpyrrole-2,5-dione
PubChem CID110552658
Molecular FormulaC22H20N2O3S
Molecular Weight392.48 g/mol
Exact Mass392.12
IUPAC Name3-[benzyl(ethyl)amino]-1-(furan-2-ylmethyl)-4-thiophen-2-ylpyrrole-2,5-dione
SMILESCCN(Cc1ccccc1)C1=C(c2cccs2)C(=O)N(Cc2ccco2)C1=O
InChIInChI=1S/C22H20N2O3S/c1-2-23(14-16-8-4-3-5-9-16)20-19(18-11-7-13-28-18)21(25)24(22(20)26)15-17-10-6-12-27-17/h3-13H,2,14-15H2,1H3
InChIKeyYWATWBFQRCBISQ-UHFFFAOYSA-N
XLogP4.14
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[benzyl(ethyl)amino]-1-(2-propan-2-yloxyethyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553106
3-[benzyl(methyl)amino]-1-propyl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552926
3-[ethyl(2-pyridin-4-ylethyl)amino]-1-(2-phenylethyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552382
3-[benzyl(ethyl)amino]-1-(4-chloro-2-methylphenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110555094
1-(furan-2-ylmethyl)-3-(4-methylpiperidin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552639
3-(2,6-dimethylmorpholin-4-yl)-1-(furan-2-ylmethyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552646
3-[benzyl(ethyl)amino]-1-(2-methoxy-5-methylphenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110555175
3-(N-ethylanilino)-1-[(4-methylphenyl)methyl]-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552558
3-(N-ethylanilino)-1-(2-phenylethyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552386
1-benzyl-3-[4-(diethylamino)anilino]-4-thiophen-2-ylpyrrole-2,5-dione
CID 110590769
3-[benzyl(ethyl)amino]-1-ethyl-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110572443
3-(N-ethylanilino)-4-thiophen-2-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2,5-dione
CID 110551995

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(ethyl)amino]-1-(furan-2-ylmethyl)-4-thiophen-2-ylpyrrole-2,5-dione?
The IUPAC name of 3-[benzyl(ethyl)amino]-1-(furan-2-ylmethyl)-4-thiophen-2-ylpyrrole-2,5-dione (CID 110552658) is 3-[benzyl(ethyl)amino]-1-(furan-2-ylmethyl)-4-thiophen-2-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-[benzyl(ethyl)amino]-1-(furan-2-ylmethyl)-4-thiophen-2-ylpyrrole-2,5-dione?
The canonical SMILES for 3-[benzyl(ethyl)amino]-1-(furan-2-ylmethyl)-4-thiophen-2-ylpyrrole-2,5-dione is CCN(Cc1ccccc1)C1=C(c2cccs2)C(=O)N(Cc2ccco2)C1=O.
What is the InChIKey of 3-[benzyl(ethyl)amino]-1-(furan-2-ylmethyl)-4-thiophen-2-ylpyrrole-2,5-dione?
The InChIKey is YWATWBFQRCBISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3S/c1-2-23(14-16-8-4-3-5-9-16)20-19(18-11-7-13-28-18)21(25)24(22(20)26)15-17-10-6-12-27-17/h3-13H,2,14-15H2,1H3.
What are the key properties of 3-[benzyl(ethyl)amino]-1-(furan-2-ylmethyl)-4-thiophen-2-ylpyrrole-2,5-dione?
3-[benzyl(ethyl)amino]-1-(furan-2-ylmethyl)-4-thiophen-2-ylpyrrole-2,5-dione has a molecular weight of 392.48 g/mol, XLogP of 4.14, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(ethyl)amino]-1-(furan-2-ylmethyl)-4-thiophen-2-ylpyrrole-2,5-dione is sourced from PubChem (CID 110552658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).