2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(2-methylsulfanylethyl)acetamide

C23H29N3O2S — CID 45172029

IUPAC2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(2-methylsulfanylethyl)acetamide
SMILESCSCCNC(=O)CC1C(=O)NCCN1CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H29N3O2S/c1-29-15-13-24-22(27)16-21-23(28)25-12-14-26(21)17-20(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,20-21H,12-17H2,1H3,(H,24,27)(H,25,28)
InChIKeyMWAJNNNWOZWFCW-UHFFFAOYSA-N
MW411.57 g/mol
LogP2.49
Rot. Bonds9

About 2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(2-methylsulfanylethyl)acetamide

2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(2-methylsulfanylethyl)acetamide (PubChem CID 45172029) has the molecular formula C23H29N3O2S and a molecular weight of 411.57 g/mol. Its IUPAC name is 2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(2-methylsulfanylethyl)acetamide.

Molecular Properties

Compound Name2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(2-methylsulfanylethyl)acetamide
PubChem CID45172029
Molecular FormulaC23H29N3O2S
Molecular Weight411.57 g/mol
Exact Mass411.20
IUPAC Name2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(2-methylsulfanylethyl)acetamide
SMILESCSCCNC(=O)CC1C(=O)NCCN1CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H29N3O2S/c1-29-15-13-24-22(27)16-21-23(28)25-12-14-26(21)17-20(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,20-21H,12-17H2,1H3,(H,24,27)(H,25,28)
InChIKeyMWAJNNNWOZWFCW-UHFFFAOYSA-N
XLogP2.49
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.57
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(2-methylsulfanylethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-ethylacetamide
CID 56900793
2-[(2R)-1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-methylacetamide
CID 95719696
N-(2-methylsulfanylethyl)-2-[(2R)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide
CID 26398297
2-[(2S)-1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(3-hydroxy-2,2-dimethylpropyl)acetamide
CID 42527313
N-(2-methylsulfanylethyl)-2-[(2R)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 25458386
2-[(2R)-1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(furan-2-ylmethyl)acetamide
CID 95708264
ethyl 2-[(2S)-1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]acetate
CID 7172640
4-(2,2-diphenylethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one
CID 45244864
2-[1-[(2-chloro-6-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(3-methylsulfanylpropyl)acetamide
CID 45192706
2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 126428738
N-(3-methylbutyl)-2-[(2R)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide
CID 95708193
2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]-N-[2-(methylsulfamoyl)ethyl]acetamide
CID 95722495

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(2-methylsulfanylethyl)acetamide?
The IUPAC name of 2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(2-methylsulfanylethyl)acetamide (CID 45172029) is 2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(2-methylsulfanylethyl)acetamide.
What is the SMILES notation for 2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(2-methylsulfanylethyl)acetamide?
The canonical SMILES for 2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(2-methylsulfanylethyl)acetamide is CSCCNC(=O)CC1C(=O)NCCN1CC(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(2-methylsulfanylethyl)acetamide?
The InChIKey is MWAJNNNWOZWFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2S/c1-29-15-13-24-22(27)16-21-23(28)25-12-14-26(21)17-20(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,20-21H,12-17H2,1H3,(H,24,27)(H,25,28).
What are the key properties of 2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(2-methylsulfanylethyl)acetamide?
2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(2-methylsulfanylethyl)acetamide has a molecular weight of 411.57 g/mol, XLogP of 2.49, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(2-methylsulfanylethyl)acetamide is sourced from PubChem (CID 45172029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).