4-hydroxy-2-(5-methylfuran-2-yl)-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one

C20H22N2O5S — CID 2909894

IUPAC4-hydroxy-2-(5-methylfuran-2-yl)-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESCc1ccc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN2CCOCC2)o1
InChIInChI=1S/C20H22N2O5S/c1-13-4-5-14(27-13)17-16(18(23)15-3-2-12-28-15)19(24)20(25)22(17)7-6-21-8-10-26-11-9-21/h2-5,12,17,24H,6-11H2,1H3
InChIKeyLOKKUIZJIPDTCY-UHFFFAOYSA-N
MW402.47 g/mol
LogP2.56
Rot. Bonds6

About 4-hydroxy-2-(5-methylfuran-2-yl)-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one

4-hydroxy-2-(5-methylfuran-2-yl)-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (PubChem CID 2909894) has the molecular formula C20H22N2O5S and a molecular weight of 402.47 g/mol. Its IUPAC name is 4-hydroxy-2-(5-methylfuran-2-yl)-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-2-(5-methylfuran-2-yl)-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
PubChem CID2909894
Molecular FormulaC20H22N2O5S
Molecular Weight402.47 g/mol
Exact Mass402.12
IUPAC Name4-hydroxy-2-(5-methylfuran-2-yl)-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESCc1ccc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN2CCOCC2)o1
InChIInChI=1S/C20H22N2O5S/c1-13-4-5-14(27-13)17-16(18(23)15-3-2-12-28-15)19(24)20(25)22(17)7-6-21-8-10-26-11-9-21/h2-5,12,17,24H,6-11H2,1H3
InChIKeyLOKKUIZJIPDTCY-UHFFFAOYSA-N
XLogP2.56
TPSA83.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(5-methylfuran-2-yl)-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-2-(5-methylfuran-2-yl)-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (CID 2909894) is 4-hydroxy-2-(5-methylfuran-2-yl)-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-2-(5-methylfuran-2-yl)-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-2-(5-methylfuran-2-yl)-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is Cc1ccc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN2CCOCC2)o1.
What is the InChIKey of 4-hydroxy-2-(5-methylfuran-2-yl)-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The InChIKey is LOKKUIZJIPDTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5S/c1-13-4-5-14(27-13)17-16(18(23)15-3-2-12-28-15)19(24)20(25)22(17)7-6-21-8-10-26-11-9-21/h2-5,12,17,24H,6-11H2,1H3.
What are the key properties of 4-hydroxy-2-(5-methylfuran-2-yl)-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
4-hydroxy-2-(5-methylfuran-2-yl)-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one has a molecular weight of 402.47 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(5-methylfuran-2-yl)-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is sourced from PubChem (CID 2909894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).