N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide

C22H26N4O2S — CID 8691580

IUPACN-[2-(cyanomethylsulfanyl)phenyl]-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide
SMILESCCOc1ccccc1N1CCN(CC(=O)Nc2ccccc2SCC#N)CC1
InChIInChI=1S/C22H26N4O2S/c1-2-28-20-9-5-4-8-19(20)26-14-12-25(13-15-26)17-22(27)24-18-7-3-6-10-21(18)29-16-11-23/h3-10H,2,12-17H2,1H3,(H,24,27)
InChIKeyGQNOKXBEGQICDR-UHFFFAOYSA-N
MW410.54 g/mol
LogP3.46
Rot. Bonds8

About N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide

N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide (PubChem CID 8691580) has the molecular formula C22H26N4O2S and a molecular weight of 410.54 g/mol. Its IUPAC name is N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(cyanomethylsulfanyl)phenyl]-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide
PubChem CID8691580
Molecular FormulaC22H26N4O2S
Molecular Weight410.54 g/mol
Exact Mass410.18
IUPAC NameN-[2-(cyanomethylsulfanyl)phenyl]-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide
SMILESCCOc1ccccc1N1CCN(CC(=O)Nc2ccccc2SCC#N)CC1
InChIInChI=1S/C22H26N4O2S/c1-2-28-20-9-5-4-8-19(20)26-14-12-25(13-15-26)17-22(27)24-18-7-3-6-10-21(18)29-16-11-23/h3-10H,2,12-17H2,1H3,(H,24,27)
InChIKeyGQNOKXBEGQICDR-UHFFFAOYSA-N
XLogP3.46
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-(2-ethoxyphenyl)piperazin-1-yl]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

N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 8703950
N-[2-(cyanomethylsulfanyl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 8546249
ethyl 2-[[2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetyl]amino]benzoate
CID 8703709
N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetamide
CID 9300467
N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide
CID 29157908
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-[2-(cyanomethylsulfanyl)phenyl]acetamide
CID 37407294
N-[2-(cyanomethylsulfanyl)phenyl]-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 27160013
N-(2-chloro-4-fluorophenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide
CID 8703627
2-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 86345330
N-(4-acetylphenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide
CID 8703707
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide
CID 8703723
N-(2-ethoxyphenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 6469217

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide (CID 8691580) is N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide is CCOc1ccccc1N1CCN(CC(=O)Nc2ccccc2SCC#N)CC1.
What is the InChIKey of N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide?
The InChIKey is GQNOKXBEGQICDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2S/c1-2-28-20-9-5-4-8-19(20)26-14-12-25(13-15-26)17-22(27)24-18-7-3-6-10-21(18)29-16-11-23/h3-10H,2,12-17H2,1H3,(H,24,27).
What are the key properties of N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide?
N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide has a molecular weight of 410.54 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 8691580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).