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

C18H17NO4S — CID 3147557

IUPAC4-hydroxy-1-(2-methoxyethyl)-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESCOCCN1C(=O)C(O)=C(C(=O)c2cccs2)C1c1ccccc1
InChIInChI=1S/C18H17NO4S/c1-23-10-9-19-15(12-6-3-2-4-7-12)14(17(21)18(19)22)16(20)13-8-5-11-24-13/h2-8,11,15,21H,9-10H2,1H3
InChIKeyWJTKKHVDFGWIQS-UHFFFAOYSA-N
MW343.40 g/mol
LogP2.97
Rot. Bonds6

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

4-hydroxy-1-(2-methoxyethyl)-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (PubChem CID 3147557) has the molecular formula C18H17NO4S and a molecular weight of 343.40 g/mol. Its IUPAC name is 4-hydroxy-1-(2-methoxyethyl)-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-1-(2-methoxyethyl)-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
PubChem CID3147557
Molecular FormulaC18H17NO4S
Molecular Weight343.40 g/mol
Exact Mass343.09
IUPAC Name4-hydroxy-1-(2-methoxyethyl)-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESCOCCN1C(=O)C(O)=C(C(=O)c2cccs2)C1c1ccccc1
InChIInChI=1S/C18H17NO4S/c1-23-10-9-19-15(12-6-3-2-4-7-12)14(17(21)18(19)22)16(20)13-8-5-11-24-13/h2-8,11,15,21H,9-10H2,1H3
InChIKeyWJTKKHVDFGWIQS-UHFFFAOYSA-N
XLogP2.97
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-5-(2-thienyl)-4-(2-thienylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
CID 663185
3-Hydroxy-5-phenyl-4-(thiophene-2-carbonyl)-1,5-dihydro-pyrrol-2-one
CID 647511
5-(3-bromophenyl)-3-hydroxy-1-(2-morpholin-4-ylethyl)-4-(thien-2-ylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
CID 2908193
3-hydroxy-1-(2-morpholinoethyl)-5-phenyl-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one
CID 2909953
5-(4-Fluoro-phenyl)-3-hydroxy-1-(2-morpholin-4-yl-ethyl)-4-(thiophene-2-carbonyl)-1,5-dihydro-pyrrol-2-one
CID 2910300
3-[Benzyl(2-hydroxyethyl)amino]-1-thiophen-2-ylpropan-1-one
CID 46231871
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-(4-morpholinyl)ethyl)-4-(2-thienylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
CID 2908455
then-2-oyl-Gly-DL-N(EtOMe)Phg-NHtBu
CID 3231457
4-Acetyl-1-benzyl-3-hydroxy-5-thiophen-2-yl-1,5-dihydro-pyrrol-2-one
CID 646382
4-acetyl-1-(3-ethoxypropyl)-3-hydroxy-5-(2-thienyl)-1,5-dihydro-2H-pyrrol-2-one
CID 4245004
5-(2-fluorophenyl)-3-hydroxy-1-(3-morpholinopropyl)-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one
CID 2909795

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(2-methoxyethyl)-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-1-(2-methoxyethyl)-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (CID 3147557) is 4-hydroxy-1-(2-methoxyethyl)-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-1-(2-methoxyethyl)-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-1-(2-methoxyethyl)-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is COCCN1C(=O)C(O)=C(C(=O)c2cccs2)C1c1ccccc1.
What is the InChIKey of 4-hydroxy-1-(2-methoxyethyl)-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The InChIKey is WJTKKHVDFGWIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4S/c1-23-10-9-19-15(12-6-3-2-4-7-12)14(17(21)18(19)22)16(20)13-8-5-11-24-13/h2-8,11,15,21H,9-10H2,1H3.
What are the key properties of 4-hydroxy-1-(2-methoxyethyl)-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
4-hydroxy-1-(2-methoxyethyl)-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one has a molecular weight of 343.40 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(2-methoxyethyl)-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is sourced from PubChem (CID 3147557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).