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

C20H22N2O3S — CID 2909265

IUPAC1-[3-(dimethylamino)propyl]-4-hydroxy-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESCN(C)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)C1c1ccccc1
InChIInChI=1S/C20H22N2O3S/c1-21(2)11-7-12-22-17(14-8-4-3-5-9-14)16(19(24)20(22)25)18(23)15-10-6-13-26-15/h3-6,8-10,13,17,24H,7,11-12H2,1-2H3
InChIKeyNNJLXGCNPWLCKM-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.28
Rot. Bonds7

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

1-[3-(dimethylamino)propyl]-4-hydroxy-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (PubChem CID 2909265) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-4-hydroxy-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-4-hydroxy-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
PubChem CID2909265
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name1-[3-(dimethylamino)propyl]-4-hydroxy-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESCN(C)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)C1c1ccccc1
InChIInChI=1S/C20H22N2O3S/c1-21(2)11-7-12-22-17(14-8-4-3-5-9-14)16(19(24)20(22)25)18(23)15-10-6-13-26-15/h3-6,8-10,13,17,24H,7,11-12H2,1-2H3
InChIKeyNNJLXGCNPWLCKM-UHFFFAOYSA-N
XLogP3.28
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-4-hydroxy-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The IUPAC name of 1-[3-(dimethylamino)propyl]-4-hydroxy-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (CID 2909265) is 1-[3-(dimethylamino)propyl]-4-hydroxy-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-4-hydroxy-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-4-hydroxy-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)C1c1ccccc1.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-4-hydroxy-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The InChIKey is NNJLXGCNPWLCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-21(2)11-7-12-22-17(14-8-4-3-5-9-14)16(19(24)20(22)25)18(23)15-10-6-13-26-15/h3-6,8-10,13,17,24H,7,11-12H2,1-2H3.
What are the key properties of 1-[3-(dimethylamino)propyl]-4-hydroxy-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
1-[3-(dimethylamino)propyl]-4-hydroxy-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one has a molecular weight of 370.47 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-4-hydroxy-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is sourced from PubChem (CID 2909265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).