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

C20H22N2O3S — CID 2912923

IUPAC1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(4-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESCc1ccc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN(C)C)cc1
InChIInChI=1S/C20H22N2O3S/c1-13-6-8-14(9-7-13)17-16(18(23)15-5-4-12-26-15)19(24)20(25)22(17)11-10-21(2)3/h4-9,12,17,24H,10-11H2,1-3H3
InChIKeyQWLYNZCBXXECSA-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.20
Rot. Bonds6

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

1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(4-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (PubChem CID 2912923) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(4-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(4-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
PubChem CID2912923
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(4-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESCc1ccc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN(C)C)cc1
InChIInChI=1S/C20H22N2O3S/c1-13-6-8-14(9-7-13)17-16(18(23)15-5-4-12-26-15)19(24)20(25)22(17)11-10-21(2)3/h4-9,12,17,24H,10-11H2,1-3H3
InChIKeyQWLYNZCBXXECSA-UHFFFAOYSA-N
XLogP3.20
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-[4-(2-thienyl)phenyl]ethane-1,2-dione
CID 44191363
1-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-[4-(3-thienyl)phenyl]ethane-1,2-dione
CID 44191532
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
(4-Tert-butylphenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 16312479
5-acetyl-N-[1-(2-fluorobenzyl)-3-piperidinyl]-N-methyl-2-thiophenecarboxamide
CID 24791102
1-[4-(5-Acetylthiophen-3-yl)phenyl]-2-(4-benzoyl-2-methylpiperazin-1-yl)ethane-1,2-dione
CID 44191533
3-(5-Acetyl-thiophen-2-yl)-1-[2-(3-hydroxy-pyrrolidin-1-yl)-1-phenyl-ethyl]-1H-pyridin-2-one
CID 44269951
(4-Tert-butylphenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 9022655
1-[4-(5-acetyl-2-thienyl)phenyl]-2-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]ethane-1,2-dione
CID 24995389

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(4-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(4-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (CID 2912923) is 1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(4-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(4-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(4-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is Cc1ccc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN(C)C)cc1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(4-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The InChIKey is QWLYNZCBXXECSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-13-6-8-14(9-7-13)17-16(18(23)15-5-4-12-26-15)19(24)20(25)22(17)11-10-21(2)3/h4-9,12,17,24H,10-11H2,1-3H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(4-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(4-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one has a molecular weight of 370.47 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(4-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is sourced from PubChem (CID 2912923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).