(3R)-1-(2,3-dimethylphenyl)-4-phenyl-3-thiophen-2-ylpiperazine-2,5-dione

C22H20N2O2S — CID 7693694

IUPAC(3R)-1-(2,3-dimethylphenyl)-4-phenyl-3-thiophen-2-ylpiperazine-2,5-dione
SMILESCc1cccc(N2CC(=O)N(c3ccccc3)[C@@H](c3cccs3)C2=O)c1C
InChIInChI=1S/C22H20N2O2S/c1-15-8-6-11-18(16(15)2)23-14-20(25)24(17-9-4-3-5-10-17)21(22(23)26)19-12-7-13-27-19/h3-13,21H,14H2,1-2H3/t21-/m0/s1
InChIKeyNGQFWYDMVUERJR-NRFANRHFSA-N
MW376.48 g/mol
LogP4.49
Rot. Bonds3

About (3R)-1-(2,3-dimethylphenyl)-4-phenyl-3-thiophen-2-ylpiperazine-2,5-dione

(3R)-1-(2,3-dimethylphenyl)-4-phenyl-3-thiophen-2-ylpiperazine-2,5-dione (PubChem CID 7693694) has the molecular formula C22H20N2O2S and a molecular weight of 376.48 g/mol. Its IUPAC name is (3R)-1-(2,3-dimethylphenyl)-4-phenyl-3-thiophen-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-(2,3-dimethylphenyl)-4-phenyl-3-thiophen-2-ylpiperazine-2,5-dione
PubChem CID7693694
Molecular FormulaC22H20N2O2S
Molecular Weight376.48 g/mol
Exact Mass376.12
IUPAC Name(3R)-1-(2,3-dimethylphenyl)-4-phenyl-3-thiophen-2-ylpiperazine-2,5-dione
SMILESCc1cccc(N2CC(=O)N(c3ccccc3)[C@@H](c3cccs3)C2=O)c1C
InChIInChI=1S/C22H20N2O2S/c1-15-8-6-11-18(16(15)2)23-14-20(25)24(17-9-4-3-5-10-17)21(22(23)26)19-12-7-13-27-19/h3-13,21H,14H2,1-2H3/t21-/m0/s1
InChIKeyNGQFWYDMVUERJR-NRFANRHFSA-N
XLogP4.49
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(2,3-dimethylphenyl)-4-(2-methoxyphenyl)-3-thiophen-2-ylpiperazine-2,5-dione
CID 7333055
(3S)-1-(2,3-dimethylphenyl)-4-phenyl-3-[(E)-1-phenylprop-1-en-2-yl]piperazine-2,5-dione
CID 7097394
1-(2,3-dimethylphenyl)-4-hydroxy-3-(3-phenylpropanoyl)-2-thiophen-2-yl-2H-pyrrol-5-one
CID 108622879
(4Z)-1-(2,3-dimethylphenyl)-4-[(2,5-dimethylphenyl)-hydroxymethylidene]-5-thiophen-2-ylpyrrolidine-2,3-dione
CID 108622835
(3R)-1-(2,6-dimethylphenyl)-4-(4-methylphenyl)-3-phenylpiperazine-2,5-dione
CID 7692921
(3R)-1-(2,6-dimethylphenyl)-4-phenyl-3-(4-propan-2-ylphenyl)piperazine-2,5-dione
CID 7097601
(3R)-1-(2-methoxyphenyl)-4-phenyl-3-thiophen-3-ylpiperazine-2,5-dione
CID 7693903
(4Z)-1-(2,3-dimethylphenyl)-4-[(4-fluoro-3-methylphenyl)-hydroxymethylidene]-5-thiophen-2-ylpyrrolidine-2,3-dione
CID 108622849
(3S)-1-(2,3-dimethylphenyl)-4-(2,4-dimethylphenyl)-3-(4-methoxyphenyl)piperazine-2,5-dione
CID 40944392
(4Z)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(2-methylphenyl)-5-thiophen-2-ylpyrrolidine-2,3-dione
CID 108623425
(3S)-1-(2,3-dimethylphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
CID 93292626
1-(2,3-dimethylphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
CID 24718943

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,3-dimethylphenyl)-4-phenyl-3-thiophen-2-ylpiperazine-2,5-dione?
The IUPAC name of (3R)-1-(2,3-dimethylphenyl)-4-phenyl-3-thiophen-2-ylpiperazine-2,5-dione (CID 7693694) is (3R)-1-(2,3-dimethylphenyl)-4-phenyl-3-thiophen-2-ylpiperazine-2,5-dione.
What is the SMILES notation for (3R)-1-(2,3-dimethylphenyl)-4-phenyl-3-thiophen-2-ylpiperazine-2,5-dione?
The canonical SMILES for (3R)-1-(2,3-dimethylphenyl)-4-phenyl-3-thiophen-2-ylpiperazine-2,5-dione is Cc1cccc(N2CC(=O)N(c3ccccc3)[C@@H](c3cccs3)C2=O)c1C.
What is the InChIKey of (3R)-1-(2,3-dimethylphenyl)-4-phenyl-3-thiophen-2-ylpiperazine-2,5-dione?
The InChIKey is NGQFWYDMVUERJR-NRFANRHFSA-N. The full InChI is InChI=1S/C22H20N2O2S/c1-15-8-6-11-18(16(15)2)23-14-20(25)24(17-9-4-3-5-10-17)21(22(23)26)19-12-7-13-27-19/h3-13,21H,14H2,1-2H3/t21-/m0/s1.
What are the key properties of (3R)-1-(2,3-dimethylphenyl)-4-phenyl-3-thiophen-2-ylpiperazine-2,5-dione?
(3R)-1-(2,3-dimethylphenyl)-4-phenyl-3-thiophen-2-ylpiperazine-2,5-dione has a molecular weight of 376.48 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,3-dimethylphenyl)-4-phenyl-3-thiophen-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 7693694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).