1-(furan-2-ylmethyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one

C23H21NO7S — CID 2934026

IUPAC1-(furan-2-ylmethyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one
SMILESCOc1cc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2ccco2)cc(OC)c1OC
InChIInChI=1S/C23H21NO7S/c1-28-15-10-13(11-16(29-2)22(15)30-3)19-18(20(25)17-7-5-9-32-17)21(26)23(27)24(19)12-14-6-4-8-31-14/h4-11,19,26H,12H2,1-3H3
InChIKeyOBTGQUBEVZUKDX-UHFFFAOYSA-N
MW455.49 g/mol
LogP4.15
Rot. Bonds8

About 1-(furan-2-ylmethyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one

1-(furan-2-ylmethyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one (PubChem CID 2934026) has the molecular formula C23H21NO7S and a molecular weight of 455.49 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one
PubChem CID2934026
Molecular FormulaC23H21NO7S
Molecular Weight455.49 g/mol
Exact Mass455.10
IUPAC Name1-(furan-2-ylmethyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one
SMILESCOc1cc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2ccco2)cc(OC)c1OC
InChIInChI=1S/C23H21NO7S/c1-28-15-10-13(11-16(29-2)22(15)30-3)19-18(20(25)17-7-5-9-32-17)21(26)23(27)24(19)12-14-6-4-8-31-14/h4-11,19,26H,12H2,1-3H3
InChIKeyOBTGQUBEVZUKDX-UHFFFAOYSA-N
XLogP4.15
TPSA98.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.49
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[3-(3,4-Dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
CID 4678785
1-(2-Furylmethyl)-3-HO-5-PH-4-(2-thienylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
CID 2934282
N-(furan-2-ylmethyl)-2-hydroxy-4-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 2099188
3-hydroxy-5-[4-(isopentyloxy)-3-methoxyphenyl]-1-[2-(4-morpholinyl)ethyl]-4-(2-thienylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
CID 3378869
1-[2-(3,4-Dimethoxyphenyl)ethyl]-4-(2-furylcarbonyl)-3-hydroxy-5-(2-thienyl)-3-pyrrolin-2-one
CID 656027
N-(tetrahydrofuran-2-ylmethyl)-N-(3,4,5-trimethoxybenzyl)thiophene-2-carboxamide
CID 16453056
(4Z)-1-(furan-2-ylmethyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-5-thiophen-2-ylpyrrolidine-2,3-dione
CID 5389236
1-(2-furylmethyl)-3-hydroxy-4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)carbonyl]-5-(2-thienyl)-1,5-dihydro-2H-pyrrol-2-one
CID 5771714
2-(3,4-dimethoxyphenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 2909837
N-(furan-2-ylmethyl)-2,4-dimethoxy-N-(thiophen-2-ylmethyl)benzamide
CID 2489621
3-hydroxy-1-[2-(4-morpholinyl)ethyl]-4-(2-thienylcarbonyl)-5-(3,4,5-trimethoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
CID 2918945
5-(2-fluorophenyl)-1-(2-furylmethyl)-3-hydroxy-4-(2-thienylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
CID 2937900

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one?
The IUPAC name of 1-(furan-2-ylmethyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one (CID 2934026) is 1-(furan-2-ylmethyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 1-(furan-2-ylmethyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 1-(furan-2-ylmethyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one is COc1cc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2ccco2)cc(OC)c1OC.
What is the InChIKey of 1-(furan-2-ylmethyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one?
The InChIKey is OBTGQUBEVZUKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO7S/c1-28-15-10-13(11-16(29-2)22(15)30-3)19-18(20(25)17-7-5-9-32-17)21(26)23(27)24(19)12-14-6-4-8-31-14/h4-11,19,26H,12H2,1-3H3.
What are the key properties of 1-(furan-2-ylmethyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one?
1-(furan-2-ylmethyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one has a molecular weight of 455.49 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 2934026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).