2-(2,6-dichlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one

C20H13Cl2NO4S — CID 146023819

IUPAC2-(2,6-dichlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(Cc2cccs2)C1c1c(Cl)cccc1Cl)c1ccco1
InChIInChI=1S/C20H13Cl2NO4S/c21-12-5-1-6-13(22)15(12)17-16(18(24)14-7-2-8-27-14)19(25)20(26)23(17)10-11-4-3-9-28-11/h1-9,17,25H,10H2
InChIKeyRBCPRDLQOOQSMA-UHFFFAOYSA-N
MW434.30 g/mol
LogP5.43
Rot. Bonds5

About 2-(2,6-dichlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one

2-(2,6-dichlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one (PubChem CID 146023819) has the molecular formula C20H13Cl2NO4S and a molecular weight of 434.30 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one
PubChem CID146023819
Molecular FormulaC20H13Cl2NO4S
Molecular Weight434.30 g/mol
Exact Mass432.99
IUPAC Name2-(2,6-dichlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(Cc2cccs2)C1c1c(Cl)cccc1Cl)c1ccco1
InChIInChI=1S/C20H13Cl2NO4S/c21-12-5-1-6-13(22)15(12)17-16(18(24)14-7-2-8-27-14)19(25)20(26)23(17)10-11-4-3-9-28-11/h1-9,17,25H,10H2
InChIKeyRBCPRDLQOOQSMA-UHFFFAOYSA-N
XLogP5.43
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.30
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2,6-dichlorophenyl)-3-(furan-2-carbonyl)-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-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one
CID 108652917
2-(4-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
CID 108600418
1-[2-(dimethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one
CID 2910512
1-(3-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one
CID 108587817
1-benzyl-3-(furan-2-carbonyl)-4-hydroxy-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 4059891
4-[[2-(furan-2-yl)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]methyl]benzoic acid
CID 108607381
3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-2-yl-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one
CID 108625004
(2S)-3-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one
CID 1083217
3-(furan-2-carbonyl)-4-hydroxy-2-(3-methylthiophen-2-yl)-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one
CID 108662437
3-(furan-2-carbonyl)-4-hydroxy-2-phenyl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one
CID 108639989
1-benzyl-2-(2,6-dichlorophenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2H-pyrrol-5-one
CID 4735775
3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-4-yl-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one
CID 108632062

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one?
The IUPAC name of 2-(2,6-dichlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one (CID 146023819) is 2-(2,6-dichlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one?
The canonical SMILES for 2-(2,6-dichlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(Cc2cccs2)C1c1c(Cl)cccc1Cl)c1ccco1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one?
The InChIKey is RBCPRDLQOOQSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2NO4S/c21-12-5-1-6-13(22)15(12)17-16(18(24)14-7-2-8-27-14)19(25)20(26)23(17)10-11-4-3-9-28-11/h1-9,17,25H,10H2.
What are the key properties of 2-(2,6-dichlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one?
2-(2,6-dichlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one has a molecular weight of 434.30 g/mol, XLogP of 5.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 146023819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).