3-(furan-2-carbonyl)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one

C24H20N2O4S — CID 108696536

IUPAC3-(furan-2-carbonyl)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one
SMILESCc1ccsc1C1C(C(=O)c2ccco2)=C(O)C(=O)N1CCc1c[nH]c2ccccc12
InChIInChI=1S/C24H20N2O4S/c1-14-9-12-31-23(14)20-19(21(27)18-7-4-11-30-18)22(28)24(29)26(20)10-8-15-13-25-17-6-3-2-5-16(15)17/h2-7,9,11-13,20,25,28H,8,10H2,1H3
InChIKeyUARQNFNKWWGZTA-UHFFFAOYSA-N
MW432.50 g/mol
LogP4.95
Rot. Bonds6

About 3-(furan-2-carbonyl)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one

3-(furan-2-carbonyl)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one (PubChem CID 108696536) has the molecular formula C24H20N2O4S and a molecular weight of 432.50 g/mol. Its IUPAC name is 3-(furan-2-carbonyl)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(furan-2-carbonyl)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one
PubChem CID108696536
Molecular FormulaC24H20N2O4S
Molecular Weight432.50 g/mol
Exact Mass432.11
IUPAC Name3-(furan-2-carbonyl)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one
SMILESCc1ccsc1C1C(C(=O)c2ccco2)=C(O)C(=O)N1CCc1c[nH]c2ccccc12
InChIInChI=1S/C24H20N2O4S/c1-14-9-12-31-23(14)20-19(21(27)18-7-4-11-30-18)22(28)24(29)26(20)10-8-15-13-25-17-6-3-2-5-16(15)17/h2-7,9,11-13,20,25,28H,8,10H2,1H3
InChIKeyUARQNFNKWWGZTA-UHFFFAOYSA-N
XLogP4.95
TPSA86.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-carbonyl)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one?
The IUPAC name of 3-(furan-2-carbonyl)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one (CID 108696536) is 3-(furan-2-carbonyl)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-(furan-2-carbonyl)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one?
The canonical SMILES for 3-(furan-2-carbonyl)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one is Cc1ccsc1C1C(C(=O)c2ccco2)=C(O)C(=O)N1CCc1c[nH]c2ccccc12.
What is the InChIKey of 3-(furan-2-carbonyl)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one?
The InChIKey is UARQNFNKWWGZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4S/c1-14-9-12-31-23(14)20-19(21(27)18-7-4-11-30-18)22(28)24(29)26(20)10-8-15-13-25-17-6-3-2-5-16(15)17/h2-7,9,11-13,20,25,28H,8,10H2,1H3.
What are the key properties of 3-(furan-2-carbonyl)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one?
3-(furan-2-carbonyl)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one has a molecular weight of 432.50 g/mol, XLogP of 4.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-carbonyl)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one is sourced from PubChem (CID 108696536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).