N-[(5-ethylthiophen-2-yl)methyl]-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride

C20H28ClN3O2S — CID 120753885

IUPACN-[(5-ethylthiophen-2-yl)methyl]-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
SMILESCCc1ccc(CNC(=O)CN2CCNCC2c2ccccc2OC)s1.Cl
InChIInChI=1S/C20H27N3O2S.ClH/c1-3-15-8-9-16(26-15)12-22-20(24)14-23-11-10-21-13-18(23)17-6-4-5-7-19(17)25-2;/h4-9,18,21H,3,10-14H2,1-2H3,(H,22,24);1H
InChIKeyORMQGGDOUOYYLN-UHFFFAOYSA-N
MW409.98 g/mol
LogP3.00
Rot. Bonds7

About N-[(5-ethylthiophen-2-yl)methyl]-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride

N-[(5-ethylthiophen-2-yl)methyl]-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride (PubChem CID 120753885) has the molecular formula C20H28ClN3O2S and a molecular weight of 409.98 g/mol. Its IUPAC name is N-[(5-ethylthiophen-2-yl)methyl]-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[(5-ethylthiophen-2-yl)methyl]-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
PubChem CID120753885
Molecular FormulaC20H28ClN3O2S
Molecular Weight409.98 g/mol
Exact Mass409.16
IUPAC NameN-[(5-ethylthiophen-2-yl)methyl]-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
SMILESCCc1ccc(CNC(=O)CN2CCNCC2c2ccccc2OC)s1.Cl
InChIInChI=1S/C20H27N3O2S.ClH/c1-3-15-8-9-16(26-15)12-22-20(24)14-23-11-10-21-13-18(23)17-6-4-5-7-19(17)25-2;/h4-9,18,21H,3,10-14H2,1-2H3,(H,22,24);1H
InChIKeyORMQGGDOUOYYLN-UHFFFAOYSA-N
XLogP3.00
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.98
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(5-ethylthiophen-2-yl)methyl]-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride 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-benzyl-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120753744
N-[(3,4-dimethoxyphenyl)methyl]-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120753574
N-(4-ethylphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120753308
2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(methylcarbamoyl)acetamide
CID 120753930
N-(4-ethoxyphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120754009
N-(cyclopropylcarbamoyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120753652
N-cyclopentyl-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120753414
2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 120753647
N-(4-chlorophenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120754003
N-(3,5-difluorophenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120753312
N-(3-ethylphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 120753435
2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(oxan-4-yl)acetamide
CID 120753451

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride?
The IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride (CID 120753885) is N-[(5-ethylthiophen-2-yl)methyl]-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N-[(5-ethylthiophen-2-yl)methyl]-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride?
The canonical SMILES for N-[(5-ethylthiophen-2-yl)methyl]-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride is CCc1ccc(CNC(=O)CN2CCNCC2c2ccccc2OC)s1.Cl.
What is the InChIKey of N-[(5-ethylthiophen-2-yl)methyl]-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride?
The InChIKey is ORMQGGDOUOYYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S.ClH/c1-3-15-8-9-16(26-15)12-22-20(24)14-23-11-10-21-13-18(23)17-6-4-5-7-19(17)25-2;/h4-9,18,21H,3,10-14H2,1-2H3,(H,22,24);1H.
What are the key properties of N-[(5-ethylthiophen-2-yl)methyl]-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride?
N-[(5-ethylthiophen-2-yl)methyl]-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride has a molecular weight of 409.98 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylthiophen-2-yl)methyl]-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 120753885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).