3-(1-benzofuran-2-carbonyl)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxy-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one

C23H21NO6S — CID 146023849

IUPAC3-(1-benzofuran-2-carbonyl)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxy-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one
SMILESCC1(C)OCC(C2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2Cc2cccs2)O1
InChIInChI=1S/C23H21NO6S/c1-23(2)28-12-17(30-23)19-18(20(25)16-10-13-6-3-4-8-15(13)29-16)21(26)22(27)24(19)11-14-7-5-9-31-14/h3-10,17,19,26H,11-12H2,1-2H3
InChIKeyVWUUPQDNNWPXIB-UHFFFAOYSA-N
MW439.49 g/mol
LogP4.05
Rot. Bonds5

About 3-(1-benzofuran-2-carbonyl)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxy-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one

3-(1-benzofuran-2-carbonyl)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxy-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one (PubChem CID 146023849) has the molecular formula C23H21NO6S and a molecular weight of 439.49 g/mol. Its IUPAC name is 3-(1-benzofuran-2-carbonyl)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxy-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(1-benzofuran-2-carbonyl)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxy-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one
PubChem CID146023849
Molecular FormulaC23H21NO6S
Molecular Weight439.49 g/mol
Exact Mass439.11
IUPAC Name3-(1-benzofuran-2-carbonyl)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxy-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one
SMILESCC1(C)OCC(C2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2Cc2cccs2)O1
InChIInChI=1S/C23H21NO6S/c1-23(2)28-12-17(30-23)19-18(20(25)16-10-13-6-3-4-8-15(13)29-16)21(26)22(27)24(19)11-14-7-5-9-31-14/h3-10,17,19,26H,11-12H2,1-2H3
InChIKeyVWUUPQDNNWPXIB-UHFFFAOYSA-N
XLogP4.05
TPSA89.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.49
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(1-benzofuran-2-carbonyl)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxy-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-propyl-2-thiophen-2-yl-2H-pyrrol-5-one
CID 108624291
3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-pentyl-2-thiophen-2-yl-2H-pyrrol-5-one
CID 108624378
3-(1-benzofuran-2-carbonyl)-1-[3-(dimethylamino)propyl]-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one
CID 3487292
3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-2-yl-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one
CID 108625004
(2R)-3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-2-thiophen-2-yl-2H-pyrrol-5-one
CID 6959629
(3E,4R)-1-benzyl-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(1-phenylprop-2-ynylidene)azetidin-2-one
CID 66574015
3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
CID 3270102
3-(1-benzofuran-2-carbonyl)-2-(3-bromophenyl)-4-hydroxy-1-(2-methoxyethyl)-2H-pyrrol-5-one
CID 3492925
3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-pentyl-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108635019
3-(1-benzofuran-2-carbonyl)-1-(3-chloro-2-methylphenyl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one
CID 108587441
3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 5156087
3-(1-benzofuran-2-carbonyl)-2-(4-fluorophenyl)-4-hydroxy-1-(2-methoxyethyl)-2H-pyrrol-5-one
CID 3493234

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-carbonyl)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxy-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one?
The IUPAC name of 3-(1-benzofuran-2-carbonyl)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxy-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one (CID 146023849) is 3-(1-benzofuran-2-carbonyl)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxy-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-(1-benzofuran-2-carbonyl)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxy-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one?
The canonical SMILES for 3-(1-benzofuran-2-carbonyl)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxy-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one is CC1(C)OCC(C2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2Cc2cccs2)O1.
What is the InChIKey of 3-(1-benzofuran-2-carbonyl)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxy-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one?
The InChIKey is VWUUPQDNNWPXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO6S/c1-23(2)28-12-17(30-23)19-18(20(25)16-10-13-6-3-4-8-15(13)29-16)21(26)22(27)24(19)11-14-7-5-9-31-14/h3-10,17,19,26H,11-12H2,1-2H3.
What are the key properties of 3-(1-benzofuran-2-carbonyl)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxy-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one?
3-(1-benzofuran-2-carbonyl)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxy-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one has a molecular weight of 439.49 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-carbonyl)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxy-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 146023849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).