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

C18H13NO4S2 — CID 2934757

IUPAC1-(furan-2-ylmethyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(Cc2ccco2)C1c1cccs1)c1cccs1
InChIInChI=1S/C18H13NO4S2/c20-16(13-6-3-9-25-13)14-15(12-5-2-8-24-12)19(18(22)17(14)21)10-11-4-1-7-23-11/h1-9,15,21H,10H2
InChIKeyFEQIAUJFXZYEHS-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.18
Rot. Bonds5

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

1-(furan-2-ylmethyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-5-one (PubChem CID 2934757) has the molecular formula C18H13NO4S2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-5-one
PubChem CID2934757
Molecular FormulaC18H13NO4S2
Molecular Weight371.44 g/mol
Exact Mass371.03
IUPAC Name1-(furan-2-ylmethyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(Cc2ccco2)C1c1cccs1)c1cccs1
InChIInChI=1S/C18H13NO4S2/c20-16(13-6-3-9-25-13)14-15(12-5-2-8-24-12)19(18(22)17(14)21)10-11-4-1-7-23-11/h1-9,15,21H,10H2
InChIKeyFEQIAUJFXZYEHS-UHFFFAOYSA-N
XLogP4.18
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-5-one?
The IUPAC name of 1-(furan-2-ylmethyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-5-one (CID 2934757) is 1-(furan-2-ylmethyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-5-one.
What is the SMILES notation for 1-(furan-2-ylmethyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-5-one?
The canonical SMILES for 1-(furan-2-ylmethyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(Cc2ccco2)C1c1cccs1)c1cccs1.
What is the InChIKey of 1-(furan-2-ylmethyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-5-one?
The InChIKey is FEQIAUJFXZYEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO4S2/c20-16(13-6-3-9-25-13)14-15(12-5-2-8-24-12)19(18(22)17(14)21)10-11-4-1-7-23-11/h1-9,15,21H,10H2.
What are the key properties of 1-(furan-2-ylmethyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-5-one?
1-(furan-2-ylmethyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-5-one has a molecular weight of 371.44 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-5-one is sourced from PubChem (CID 2934757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).