N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-2-thiomorpholin-3-ylacetamide;hydrochloride

C17H24Cl2N2OS — CID 119936465

IUPACN-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCC(c1ccccc1Cl)N(C(=O)CC1CSCCN1)C1CC1.Cl
InChIInChI=1S/C17H23ClN2OS.ClH/c1-12(15-4-2-3-5-16(15)18)20(14-6-7-14)17(21)10-13-11-22-9-8-19-13;/h2-5,12-14,19H,6-11H2,1H3;1H
InChIKeyHXQKQIAPSONYLB-UHFFFAOYSA-N
MW375.37 g/mol
LogP3.91
Rot. Bonds5

About N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-2-thiomorpholin-3-ylacetamide;hydrochloride

N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119936465) has the molecular formula C17H24Cl2N2OS and a molecular weight of 375.37 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119936465
Molecular FormulaC17H24Cl2N2OS
Molecular Weight375.37 g/mol
Exact Mass374.10
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCC(c1ccccc1Cl)N(C(=O)CC1CSCCN1)C1CC1.Cl
InChIInChI=1S/C17H23ClN2OS.ClH/c1-12(15-4-2-3-5-16(15)18)20(14-6-7-14)17(21)10-13-11-22-9-8-19-13;/h2-5,12-14,19H,6-11H2,1H3;1H
InChIKeyHXQKQIAPSONYLB-UHFFFAOYSA-N
XLogP3.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.37
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-2-thiomorpholin-3-ylacetamide;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-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-2-pyrrolidin-2-ylacetamide
CID 119715165
N-[1-(2-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935389
N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935635
N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936476
N-ethyl-N-phenyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119934908
N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-4-ethoxybutanamide
CID 78884246
N-methyl-N-[(4-propan-2-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935281
N-cycloheptyl-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935780
N-cyclopropyl-N-(4-methylcyclohexyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937131
N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66421653
N-[(3,4-dichlorophenyl)methyl]-N-propan-2-yl-2-thiomorpholin-3-ylacetamide
CID 119937394
N-cyclopentyl-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66421018

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119936465) is N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-2-thiomorpholin-3-ylacetamide;hydrochloride is CC(c1ccccc1Cl)N(C(=O)CC1CSCCN1)C1CC1.Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is HXQKQIAPSONYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2OS.ClH/c1-12(15-4-2-3-5-16(15)18)20(14-6-7-14)17(21)10-13-11-22-9-8-19-13;/h2-5,12-14,19H,6-11H2,1H3;1H.
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 375.37 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119936465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).