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

C23H22N2O3S — CID 7333055

IUPAC(3R)-1-(2,3-dimethylphenyl)-4-(2-methoxyphenyl)-3-thiophen-2-ylpiperazine-2,5-dione
SMILESCOc1ccccc1N1C(=O)CN(c2cccc(C)c2C)C(=O)[C@@H]1c1cccs1
InChIInChI=1S/C23H22N2O3S/c1-15-8-6-10-17(16(15)2)24-14-21(26)25(18-9-4-5-11-19(18)28-3)22(23(24)27)20-12-7-13-29-20/h4-13,22H,14H2,1-3H3/t22-/m0/s1
InChIKeyHPGPJFRYSDWUFR-QFIPXVFZSA-N
MW406.51 g/mol
LogP4.49
Rot. Bonds4

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

(3R)-1-(2,3-dimethylphenyl)-4-(2-methoxyphenyl)-3-thiophen-2-ylpiperazine-2,5-dione (PubChem CID 7333055) has the molecular formula C23H22N2O3S and a molecular weight of 406.51 g/mol. Its IUPAC name is (3R)-1-(2,3-dimethylphenyl)-4-(2-methoxyphenyl)-3-thiophen-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-(2,3-dimethylphenyl)-4-(2-methoxyphenyl)-3-thiophen-2-ylpiperazine-2,5-dione
PubChem CID7333055
Molecular FormulaC23H22N2O3S
Molecular Weight406.51 g/mol
Exact Mass406.14
IUPAC Name(3R)-1-(2,3-dimethylphenyl)-4-(2-methoxyphenyl)-3-thiophen-2-ylpiperazine-2,5-dione
SMILESCOc1ccccc1N1C(=O)CN(c2cccc(C)c2C)C(=O)[C@@H]1c1cccs1
InChIInChI=1S/C23H22N2O3S/c1-15-8-6-10-17(16(15)2)24-14-21(26)25(18-9-4-5-11-19(18)28-3)22(23(24)27)20-12-7-13-29-20/h4-13,22H,14H2,1-3H3/t22-/m0/s1
InChIKeyHPGPJFRYSDWUFR-QFIPXVFZSA-N
XLogP4.49
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,3-dimethylphenyl)-4-(2-methoxyphenyl)-3-thiophen-2-ylpiperazine-2,5-dione?
The IUPAC name of (3R)-1-(2,3-dimethylphenyl)-4-(2-methoxyphenyl)-3-thiophen-2-ylpiperazine-2,5-dione (CID 7333055) is (3R)-1-(2,3-dimethylphenyl)-4-(2-methoxyphenyl)-3-thiophen-2-ylpiperazine-2,5-dione.
What is the SMILES notation for (3R)-1-(2,3-dimethylphenyl)-4-(2-methoxyphenyl)-3-thiophen-2-ylpiperazine-2,5-dione?
The canonical SMILES for (3R)-1-(2,3-dimethylphenyl)-4-(2-methoxyphenyl)-3-thiophen-2-ylpiperazine-2,5-dione is COc1ccccc1N1C(=O)CN(c2cccc(C)c2C)C(=O)[C@@H]1c1cccs1.
What is the InChIKey of (3R)-1-(2,3-dimethylphenyl)-4-(2-methoxyphenyl)-3-thiophen-2-ylpiperazine-2,5-dione?
The InChIKey is HPGPJFRYSDWUFR-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H22N2O3S/c1-15-8-6-10-17(16(15)2)24-14-21(26)25(18-9-4-5-11-19(18)28-3)22(23(24)27)20-12-7-13-29-20/h4-13,22H,14H2,1-3H3/t22-/m0/s1.
What are the key properties of (3R)-1-(2,3-dimethylphenyl)-4-(2-methoxyphenyl)-3-thiophen-2-ylpiperazine-2,5-dione?
(3R)-1-(2,3-dimethylphenyl)-4-(2-methoxyphenyl)-3-thiophen-2-ylpiperazine-2,5-dione has a molecular weight of 406.51 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,3-dimethylphenyl)-4-(2-methoxyphenyl)-3-thiophen-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 7333055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).