2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(4-methylsulfanylphenyl)acetamide

C20H25N3O2S — CID 120753860

IUPAC2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(4-methylsulfanylphenyl)acetamide
SMILESCOc1ccccc1C1CNCCN1CC(=O)Nc1ccc(SC)cc1
InChIInChI=1S/C20H25N3O2S/c1-25-19-6-4-3-5-17(19)18-13-21-11-12-23(18)14-20(24)22-15-7-9-16(26-2)10-8-15/h3-10,18,21H,11-14H2,1-2H3,(H,22,24)
InChIKeyGBUGOAWGWKMYQY-UHFFFAOYSA-N
MW371.51 g/mol
LogP3.00
Rot. Bonds6

About 2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(4-methylsulfanylphenyl)acetamide

2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(4-methylsulfanylphenyl)acetamide (PubChem CID 120753860) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is 2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(4-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(4-methylsulfanylphenyl)acetamide
PubChem CID120753860
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC Name2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(4-methylsulfanylphenyl)acetamide
SMILESCOc1ccccc1C1CNCCN1CC(=O)Nc1ccc(SC)cc1
InChIInChI=1S/C20H25N3O2S/c1-25-19-6-4-3-5-17(19)18-13-21-11-12-23(18)14-20(24)22-15-7-9-16(26-2)10-8-15/h3-10,18,21H,11-14H2,1-2H3,(H,22,24)
InChIKeyGBUGOAWGWKMYQY-UHFFFAOYSA-N
XLogP3.00
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120754003
N-(4-ethylphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120753308
N-(4-ethoxyphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120754009
N-[4-(difluoromethoxy)phenyl]-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 120753715
N-(3,5-difluorophenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120753312
N-(2-chlorophenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 120754125
N-(3-ethylphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 120753435
N-(2-acetylphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 120753523
2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(methylcarbamoyl)acetamide
CID 120753930
N-(2,5-dimethoxyphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 120753359
N-(2,5-difluorophenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 120754096
2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 120753156

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(4-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(4-methylsulfanylphenyl)acetamide (CID 120753860) is 2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(4-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(4-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(4-methylsulfanylphenyl)acetamide is COc1ccccc1C1CNCCN1CC(=O)Nc1ccc(SC)cc1.
What is the InChIKey of 2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(4-methylsulfanylphenyl)acetamide?
The InChIKey is GBUGOAWGWKMYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-25-19-6-4-3-5-17(19)18-13-21-11-12-23(18)14-20(24)22-15-7-9-16(26-2)10-8-15/h3-10,18,21H,11-14H2,1-2H3,(H,22,24).
What are the key properties of 2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(4-methylsulfanylphenyl)acetamide?
2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(4-methylsulfanylphenyl)acetamide has a molecular weight of 371.51 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(4-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 120753860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).