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

C20H15NO4S — CID 2934282

IUPAC1-(furan-2-ylmethyl)-4-hydroxy-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(Cc2ccco2)C1c1ccccc1)c1cccs1
InChIInChI=1S/C20H15NO4S/c22-18(15-9-5-11-26-15)16-17(13-6-2-1-3-7-13)21(20(24)19(16)23)12-14-8-4-10-25-14/h1-11,17,23H,12H2
InChIKeyYCJVXBXUNFUQPF-UHFFFAOYSA-N
MW365.41 g/mol
LogP4.12
Rot. Bonds5

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

1-(furan-2-ylmethyl)-4-hydroxy-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (PubChem CID 2934282) has the molecular formula C20H15NO4S and a molecular weight of 365.41 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-4-hydroxy-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-4-hydroxy-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
PubChem CID2934282
Molecular FormulaC20H15NO4S
Molecular Weight365.41 g/mol
Exact Mass365.07
IUPAC Name1-(furan-2-ylmethyl)-4-hydroxy-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(Cc2ccco2)C1c1ccccc1)c1cccs1
InChIInChI=1S/C20H15NO4S/c22-18(15-9-5-11-26-15)16-17(13-6-2-1-3-7-13)21(20(24)19(16)23)12-14-8-4-10-25-14/h1-11,17,23H,12H2
InChIKeyYCJVXBXUNFUQPF-UHFFFAOYSA-N
XLogP4.12
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-4-hydroxy-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The IUPAC name of 1-(furan-2-ylmethyl)-4-hydroxy-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (CID 2934282) is 1-(furan-2-ylmethyl)-4-hydroxy-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
What is the SMILES notation for 1-(furan-2-ylmethyl)-4-hydroxy-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The canonical SMILES for 1-(furan-2-ylmethyl)-4-hydroxy-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(Cc2ccco2)C1c1ccccc1)c1cccs1.
What is the InChIKey of 1-(furan-2-ylmethyl)-4-hydroxy-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The InChIKey is YCJVXBXUNFUQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO4S/c22-18(15-9-5-11-26-15)16-17(13-6-2-1-3-7-13)21(20(24)19(16)23)12-14-8-4-10-25-14/h1-11,17,23H,12H2.
What are the key properties of 1-(furan-2-ylmethyl)-4-hydroxy-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
1-(furan-2-ylmethyl)-4-hydroxy-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one has a molecular weight of 365.41 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-4-hydroxy-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is sourced from PubChem (CID 2934282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).