2-[4-benzyl-3,6-dioxo-1-(2-thiophen-2-ylethyl)piperazin-2-yl]-N-(thiophen-2-ylmethyl)acetamide

C24H25N3O3S2 — CID 68748027

IUPAC2-[4-benzyl-3,6-dioxo-1-(2-thiophen-2-ylethyl)piperazin-2-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CC1C(=O)N(Cc2ccccc2)CC(=O)N1CCc1cccs1)NCc1cccs1
InChIInChI=1S/C24H25N3O3S2/c28-22(25-15-20-9-5-13-32-20)14-21-24(30)26(16-18-6-2-1-3-7-18)17-23(29)27(21)11-10-19-8-4-12-31-19/h1-9,12-13,21H,10-11,14-17H2,(H,25,28)
InChIKeyFBIZYMBYHFFCHY-UHFFFAOYSA-N
MW467.62 g/mol
LogP3.30
Rot. Bonds9

About 2-[4-benzyl-3,6-dioxo-1-(2-thiophen-2-ylethyl)piperazin-2-yl]-N-(thiophen-2-ylmethyl)acetamide

2-[4-benzyl-3,6-dioxo-1-(2-thiophen-2-ylethyl)piperazin-2-yl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 68748027) has the molecular formula C24H25N3O3S2 and a molecular weight of 467.62 g/mol. Its IUPAC name is 2-[4-benzyl-3,6-dioxo-1-(2-thiophen-2-ylethyl)piperazin-2-yl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-benzyl-3,6-dioxo-1-(2-thiophen-2-ylethyl)piperazin-2-yl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID68748027
Molecular FormulaC24H25N3O3S2
Molecular Weight467.62 g/mol
Exact Mass467.13
IUPAC Name2-[4-benzyl-3,6-dioxo-1-(2-thiophen-2-ylethyl)piperazin-2-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CC1C(=O)N(Cc2ccccc2)CC(=O)N1CCc1cccs1)NCc1cccs1
InChIInChI=1S/C24H25N3O3S2/c28-22(25-15-20-9-5-13-32-20)14-21-24(30)26(16-18-6-2-1-3-7-18)17-23(29)27(21)11-10-19-8-4-12-31-19/h1-9,12-13,21H,10-11,14-17H2,(H,25,28)
InChIKeyFBIZYMBYHFFCHY-UHFFFAOYSA-N
XLogP3.30
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.62
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-benzyl-3,6-dioxo-1-(2-thiophen-2-ylethyl)piperazin-2-yl]-N-[2-(4-hydroxyphenyl)ethyl]acetamide
CID 68750806
2-[3,6-dioxo-1,4-bis(2-thiophen-2-ylethyl)piperazin-2-yl]acetic acid
CID 68746029
2-[4-[2-(2,4-dichlorophenyl)ethyl]-3,6-dioxo-1-(2-pyridin-4-ylethyl)piperazin-2-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 163450192
2-[3,6-dioxo-1,4-bis(2-thiophen-2-ylethyl)piperazin-2-yl]-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 68753212
2-[4-[2-(2,4-dichlorophenyl)ethyl]-3,6-dioxo-1-prop-2-ynylpiperazin-2-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 87561835
2-[3,6-dioxo-4-(2-pyridin-2-ylethyl)-1-(2-thiophen-2-ylethyl)piperazin-2-yl]-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 68747040
1-benzyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 4782295
(3S)-1-benzyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 7830959
1-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 16920317
2-[3-(2-fluorophenyl)-4-[(4-methylphenyl)methyl]-2,5-dioxopiperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 5012842
(3R)-1-benzyl-N-ethyl-5-oxo-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]pyrrolidine-3-carboxamide
CID 8008983
N-benzyl-2-(thiophen-2-ylmethylamino)acetamide
CID 43242498

Frequently Asked Questions

What is the IUPAC name of 2-[4-benzyl-3,6-dioxo-1-(2-thiophen-2-ylethyl)piperazin-2-yl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-benzyl-3,6-dioxo-1-(2-thiophen-2-ylethyl)piperazin-2-yl]-N-(thiophen-2-ylmethyl)acetamide (CID 68748027) is 2-[4-benzyl-3,6-dioxo-1-(2-thiophen-2-ylethyl)piperazin-2-yl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-benzyl-3,6-dioxo-1-(2-thiophen-2-ylethyl)piperazin-2-yl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-benzyl-3,6-dioxo-1-(2-thiophen-2-ylethyl)piperazin-2-yl]-N-(thiophen-2-ylmethyl)acetamide is O=C(CC1C(=O)N(Cc2ccccc2)CC(=O)N1CCc1cccs1)NCc1cccs1.
What is the InChIKey of 2-[4-benzyl-3,6-dioxo-1-(2-thiophen-2-ylethyl)piperazin-2-yl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is FBIZYMBYHFFCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S2/c28-22(25-15-20-9-5-13-32-20)14-21-24(30)26(16-18-6-2-1-3-7-18)17-23(29)27(21)11-10-19-8-4-12-31-19/h1-9,12-13,21H,10-11,14-17H2,(H,25,28).
What are the key properties of 2-[4-benzyl-3,6-dioxo-1-(2-thiophen-2-ylethyl)piperazin-2-yl]-N-(thiophen-2-ylmethyl)acetamide?
2-[4-benzyl-3,6-dioxo-1-(2-thiophen-2-ylethyl)piperazin-2-yl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 467.62 g/mol, XLogP of 3.30, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-benzyl-3,6-dioxo-1-(2-thiophen-2-ylethyl)piperazin-2-yl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 68748027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).