1-(2-ethoxyphenyl)-3-(furan-2-ylmethylsulfanyl)-4-thiophen-2-ylpyrrole-2,5-dione

C21H17NO4S2 — CID 110554033

IUPAC1-(2-ethoxyphenyl)-3-(furan-2-ylmethylsulfanyl)-4-thiophen-2-ylpyrrole-2,5-dione
SMILESCCOc1ccccc1N1C(=O)C(SCc2ccco2)=C(c2cccs2)C1=O
InChIInChI=1S/C21H17NO4S2/c1-2-25-16-9-4-3-8-15(16)22-20(23)18(17-10-6-12-27-17)19(21(22)24)28-13-14-7-5-11-26-14/h3-12H,2,13H2,1H3
InChIKeyLBAYNXADZOXZNT-UHFFFAOYSA-N
MW411.50 g/mol
LogP4.96
Rot. Bonds7

About 1-(2-ethoxyphenyl)-3-(furan-2-ylmethylsulfanyl)-4-thiophen-2-ylpyrrole-2,5-dione

1-(2-ethoxyphenyl)-3-(furan-2-ylmethylsulfanyl)-4-thiophen-2-ylpyrrole-2,5-dione (PubChem CID 110554033) has the molecular formula C21H17NO4S2 and a molecular weight of 411.50 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-3-(furan-2-ylmethylsulfanyl)-4-thiophen-2-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-3-(furan-2-ylmethylsulfanyl)-4-thiophen-2-ylpyrrole-2,5-dione
PubChem CID110554033
Molecular FormulaC21H17NO4S2
Molecular Weight411.50 g/mol
Exact Mass411.06
IUPAC Name1-(2-ethoxyphenyl)-3-(furan-2-ylmethylsulfanyl)-4-thiophen-2-ylpyrrole-2,5-dione
SMILESCCOc1ccccc1N1C(=O)C(SCc2ccco2)=C(c2cccs2)C1=O
InChIInChI=1S/C21H17NO4S2/c1-2-25-16-9-4-3-8-15(16)22-20(23)18(17-10-6-12-27-17)19(21(22)24)28-13-14-7-5-11-26-14/h3-12H,2,13H2,1H3
InChIKeyLBAYNXADZOXZNT-UHFFFAOYSA-N
XLogP4.96
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethoxyphenyl)-3-(furan-2-ylmethylsulfanyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110557191
3-(furan-2-ylmethylsulfanyl)-1-phenyl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110554565
3-(furan-2-ylmethylsulfanyl)-4-thiophen-2-yl-1-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110555444
1-decyl-3-(furan-2-ylmethylsulfanyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553537
3-(4-ethoxyphenyl)-4-(furan-2-ylmethylsulfanyl)-1-naphthalen-1-ylpyrrole-2,5-dione
CID 110547781
3-(furan-2-ylmethylsulfanyl)-1-(2-methoxyphenyl)-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110542587
1-(2-ethoxyphenyl)-3-(4-fluoroanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110591429
N-[4-[4-(furan-2-ylmethylsulfanyl)-1-(2-methoxyphenyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110563585
3-(3-ethoxyanilino)-1-(2-ethoxyphenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110591425
3-benzylsulfanyl-1-(2-methoxy-5-methylphenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110555191
1-(2-chlorophenyl)-3-(4-fluorophenyl)-4-(furan-2-ylmethylsulfanyl)pyrrole-2,5-dione
CID 110546054
3-benzylsulfanyl-1-(5-chloro-2-methylphenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110554185

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-3-(furan-2-ylmethylsulfanyl)-4-thiophen-2-ylpyrrole-2,5-dione?
The IUPAC name of 1-(2-ethoxyphenyl)-3-(furan-2-ylmethylsulfanyl)-4-thiophen-2-ylpyrrole-2,5-dione (CID 110554033) is 1-(2-ethoxyphenyl)-3-(furan-2-ylmethylsulfanyl)-4-thiophen-2-ylpyrrole-2,5-dione.
What is the SMILES notation for 1-(2-ethoxyphenyl)-3-(furan-2-ylmethylsulfanyl)-4-thiophen-2-ylpyrrole-2,5-dione?
The canonical SMILES for 1-(2-ethoxyphenyl)-3-(furan-2-ylmethylsulfanyl)-4-thiophen-2-ylpyrrole-2,5-dione is CCOc1ccccc1N1C(=O)C(SCc2ccco2)=C(c2cccs2)C1=O.
What is the InChIKey of 1-(2-ethoxyphenyl)-3-(furan-2-ylmethylsulfanyl)-4-thiophen-2-ylpyrrole-2,5-dione?
The InChIKey is LBAYNXADZOXZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO4S2/c1-2-25-16-9-4-3-8-15(16)22-20(23)18(17-10-6-12-27-17)19(21(22)24)28-13-14-7-5-11-26-14/h3-12H,2,13H2,1H3.
What are the key properties of 1-(2-ethoxyphenyl)-3-(furan-2-ylmethylsulfanyl)-4-thiophen-2-ylpyrrole-2,5-dione?
1-(2-ethoxyphenyl)-3-(furan-2-ylmethylsulfanyl)-4-thiophen-2-ylpyrrole-2,5-dione has a molecular weight of 411.50 g/mol, XLogP of 4.96, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-3-(furan-2-ylmethylsulfanyl)-4-thiophen-2-ylpyrrole-2,5-dione is sourced from PubChem (CID 110554033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).