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

C19H20N2O3S — CID 3146810

IUPAC1-[2-(dimethylamino)ethyl]-4-hydroxy-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESCN(C)CCN1C(=O)C(O)=C(C(=O)c2cccs2)C1c1ccccc1
InChIInChI=1S/C19H20N2O3S/c1-20(2)10-11-21-16(13-7-4-3-5-8-13)15(18(23)19(21)24)17(22)14-9-6-12-25-14/h3-9,12,16,23H,10-11H2,1-2H3
InChIKeyXGUOTXZSMMTLDT-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.89
Rot. Bonds6

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

1-[2-(dimethylamino)ethyl]-4-hydroxy-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (PubChem CID 3146810) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-4-hydroxy-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-4-hydroxy-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
PubChem CID3146810
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name1-[2-(dimethylamino)ethyl]-4-hydroxy-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESCN(C)CCN1C(=O)C(O)=C(C(=O)c2cccs2)C1c1ccccc1
InChIInChI=1S/C19H20N2O3S/c1-20(2)10-11-21-16(13-7-4-3-5-8-13)15(18(23)19(21)24)17(22)14-9-6-12-25-14/h3-9,12,16,23H,10-11H2,1-2H3
InChIKeyXGUOTXZSMMTLDT-UHFFFAOYSA-N
XLogP2.89
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-4-hydroxy-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-4-hydroxy-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (CID 3146810) is 1-[2-(dimethylamino)ethyl]-4-hydroxy-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-4-hydroxy-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-4-hydroxy-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is CN(C)CCN1C(=O)C(O)=C(C(=O)c2cccs2)C1c1ccccc1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-4-hydroxy-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The InChIKey is XGUOTXZSMMTLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-20(2)10-11-21-16(13-7-4-3-5-8-13)15(18(23)19(21)24)17(22)14-9-6-12-25-14/h3-9,12,16,23H,10-11H2,1-2H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-4-hydroxy-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
1-[2-(dimethylamino)ethyl]-4-hydroxy-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one has a molecular weight of 356.45 g/mol, XLogP of 2.89, 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-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is sourced from PubChem (CID 3146810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).