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

C17H18N2O3S2 — CID 547417

IUPAC1-[2-(dimethylamino)ethyl]-4-hydroxy-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-5-one
SMILESCN(C)CCN1C(=O)C(O)=C(C(=O)c2cccs2)C1c1cccs1
InChIInChI=1S/C17H18N2O3S2/c1-18(2)7-8-19-14(11-5-3-9-23-11)13(16(21)17(19)22)15(20)12-6-4-10-24-12/h3-6,9-10,14,21H,7-8H2,1-2H3
InChIKeyXTSCXTSFECSFGQ-UHFFFAOYSA-N
MW362.48 g/mol
LogP2.95
Rot. Bonds6

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

1-[2-(dimethylamino)ethyl]-4-hydroxy-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-5-one (PubChem CID 547417) has the molecular formula C17H18N2O3S2 and a molecular weight of 362.48 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-4-hydroxy-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-4-hydroxy-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-5-one
PubChem CID547417
Molecular FormulaC17H18N2O3S2
Molecular Weight362.48 g/mol
Exact Mass362.08
IUPAC Name1-[2-(dimethylamino)ethyl]-4-hydroxy-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-5-one
SMILESCN(C)CCN1C(=O)C(O)=C(C(=O)c2cccs2)C1c1cccs1
InChIInChI=1S/C17H18N2O3S2/c1-18(2)7-8-19-14(11-5-3-9-23-11)13(16(21)17(19)22)15(20)12-6-4-10-24-12/h3-6,9-10,14,21H,7-8H2,1-2H3
InChIKeyXTSCXTSFECSFGQ-UHFFFAOYSA-N
XLogP2.95
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-(dimethylamino)ethyl]-4-hydroxy-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-5-(2-thienyl)-4-(2-thienylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
CID 663185
4-Acetyl-1-benzyl-3-hydroxy-5-thiophen-2-yl-1,5-dihydro-pyrrol-2-one
CID 646382
3-Hydroxy-1-(2-methoxyethyl)-5-phenyl-4-(2-thienylcarbonyl)-3-pyrrolin-2-one
CID 3147557
(3-Acetyl-4-hydroxy-5-oxo-2-thiophen-2-yl-2,5-dihydro-pyrrol-1-yl)-acetonitrile
CID 3157565
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
Cambridge id 6641206
CID 2907786
1-(2-(dimethylamino)ethyl)-5-(2-fluorophenyl)-3-hydroxy-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one
CID 2910181
1-[2-(diethylamino)ethyl]-5-(2-fluorophenyl)-3-hydroxy-4-(2-thienylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
CID 2926414
3-Hydroxy-1-(2-morpholin-4-ylethyl)-5-(2-thienyl)-4-(2-thienylcarbonyl)-3-pyrr olin-2-one
CID 2910393
1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(4-methylphenyl)-4-(thiophen-2-ylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
CID 2912923
3-hydroxy-5-phenyl-1-(2-phenylethyl)-4-(thiophen-2-ylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
CID 4024847

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-4-hydroxy-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-5-one?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-4-hydroxy-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-5-one (CID 547417) is 1-[2-(dimethylamino)ethyl]-4-hydroxy-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-5-one.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-4-hydroxy-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-5-one?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-4-hydroxy-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-5-one is CN(C)CCN1C(=O)C(O)=C(C(=O)c2cccs2)C1c1cccs1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-4-hydroxy-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-5-one?
The InChIKey is XTSCXTSFECSFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S2/c1-18(2)7-8-19-14(11-5-3-9-23-11)13(16(21)17(19)22)15(20)12-6-4-10-24-12/h3-6,9-10,14,21H,7-8H2,1-2H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-4-hydroxy-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-5-one?
1-[2-(dimethylamino)ethyl]-4-hydroxy-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-5-one has a molecular weight of 362.48 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-4-hydroxy-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-5-one is sourced from PubChem (CID 547417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).