4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-5-one

C17H17NO5S2 — CID 663185

IUPAC4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(CCOCCO)C1c1cccs1)c1cccs1
InChIInChI=1S/C17H17NO5S2/c19-6-8-23-7-5-18-14(11-3-1-9-24-11)13(16(21)17(18)22)15(20)12-4-2-10-25-12/h1-4,9-10,14,19,21H,5-8H2
InChIKeyAOPHYELNPJEHSH-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.40
Rot. Bonds8

About 4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-5-one

4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-5-one (PubChem CID 663185) has the molecular formula C17H17NO5S2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-5-one
PubChem CID663185
Molecular FormulaC17H17NO5S2
Molecular Weight379.46 g/mol
Exact Mass379.05
IUPAC Name4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(CCOCCO)C1c1cccs1)c1cccs1
InChIInChI=1S/C17H17NO5S2/c19-6-8-23-7-5-18-14(11-3-1-9-24-11)13(16(21)17(18)22)15(20)12-4-2-10-25-12/h1-4,9-10,14,19,21H,5-8H2
InChIKeyAOPHYELNPJEHSH-UHFFFAOYSA-N
XLogP2.40
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-1-(2-morpholinoethyl)-5-phenyl-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one
CID 2909953
3-Hydroxy-1-(2-methoxyethyl)-5-phenyl-4-(2-thienylcarbonyl)-3-pyrrolin-2-one
CID 3147557
4-acetyl-1-(3-ethoxypropyl)-3-hydroxy-5-(2-thienyl)-1,5-dihydro-2H-pyrrol-2-one
CID 4245004
1-[3-(Dimethylamino)propyl]-3-hydroxy-5-(2-thienyl)-4-(2-thienylcarbonyl)-3-py rrolin-2-one
CID 2907600
5-(2-fluorophenyl)-3-hydroxy-1-(2-methoxyethyl)-4-(2-thienylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
CID 2918415
3-Hydroxy-1-(2-morpholin-4-ylethyl)-5-(2-thienyl)-4-(2-thienylcarbonyl)-3-pyrr olin-2-one
CID 2910393
3-Hydroxy-1-(3-methoxypropyl)-5-phenyl-4-(2-thienylcarbonyl)-3-pyrrolin-2-one
CID 2917705
(4E)-4-[hydroxy(thiophen-2-yl)methylidene]-5-(4-iodophenyl)-1-(2-methoxyethyl)pyrrolidine-2,3-dione
CID 2917722
Cambridge id 7104271
CID 2926311
(4E)-5-(4-fluorophenyl)-4-[hydroxy(thiophen-2-yl)methylidene]-1-(2-methoxyethyl)pyrrolidine-2,3-dione
CID 2919070
2-(3-fluorophenyl)-4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 3692715
2-(4-fluorophenyl)-4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 4976655

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-5-one (CID 663185) is 4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(CCOCCO)C1c1cccs1)c1cccs1.
What is the InChIKey of 4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-5-one?
The InChIKey is AOPHYELNPJEHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5S2/c19-6-8-23-7-5-18-14(11-3-1-9-24-11)13(16(21)17(18)22)15(20)12-4-2-10-25-12/h1-4,9-10,14,19,21H,5-8H2.
What are the key properties of 4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-5-one?
4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-5-one has a molecular weight of 379.46 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-5-one is sourced from PubChem (CID 663185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).