N-[5-chloro-2-(2-ethoxyethoxy)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride

C16H24Cl2N2O3S — CID 119938692

IUPACN-[5-chloro-2-(2-ethoxyethoxy)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCCOCCOc1ccc(Cl)cc1NC(=O)CC1CSCCN1.Cl
InChIInChI=1S/C16H23ClN2O3S.ClH/c1-2-21-6-7-22-15-4-3-12(17)9-14(15)19-16(20)10-13-11-23-8-5-18-13;/h3-4,9,13,18H,2,5-8,10-11H2,1H3,(H,19,20);1H
InChIKeyQMQZMDXOISIXRY-UHFFFAOYSA-N
MW395.35 g/mol
LogP3.21
Rot. Bonds8

About N-[5-chloro-2-(2-ethoxyethoxy)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride

N-[5-chloro-2-(2-ethoxyethoxy)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119938692) has the molecular formula C16H24Cl2N2O3S and a molecular weight of 395.35 g/mol. Its IUPAC name is N-[5-chloro-2-(2-ethoxyethoxy)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[5-chloro-2-(2-ethoxyethoxy)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119938692
Molecular FormulaC16H24Cl2N2O3S
Molecular Weight395.35 g/mol
Exact Mass394.09
IUPAC NameN-[5-chloro-2-(2-ethoxyethoxy)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCCOCCOc1ccc(Cl)cc1NC(=O)CC1CSCCN1.Cl
InChIInChI=1S/C16H23ClN2O3S.ClH/c1-2-21-6-7-22-15-4-3-12(17)9-14(15)19-16(20)10-13-11-23-8-5-18-13;/h3-4,9,13,18H,2,5-8,10-11H2,1H3,(H,19,20);1H
InChIKeyQMQZMDXOISIXRY-UHFFFAOYSA-N
XLogP3.21
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.35
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[5-chloro-2-(2-ethoxyethoxy)phenyl]-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-(5-chloro-2-ethylsulfanylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938825
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119935157
4-chloro-N-ethyl-2-[(2-thiomorpholin-3-ylacetyl)amino]benzamide;hydrochloride
CID 119936426
N-(5-chloro-2-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide
CID 61364064
N-[2-ethoxy-5-(piperidine-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119940371
N-(4-fluoro-2-propoxyphenyl)-2-thiomorpholin-3-ylacetamide
CID 119940311
N-(5-acetamido-2-methoxyphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935224
(3R)-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]pyrrolidine-3-carboxamide
CID 124683819
methyl 2-[4-[(2-thiomorpholin-3-ylacetyl)amino]naphthalen-1-yl]oxyacetate;hydrochloride
CID 119940181
2-thiomorpholin-3-yl-N-(2,3,4-trimethoxyphenyl)acetamide
CID 119938248
N-(2-methoxy-4-methylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66420261
2-(4-aminophenyl)-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]acetamide
CID 119773164

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(2-ethoxyethoxy)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-[5-chloro-2-(2-ethoxyethoxy)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119938692) is N-[5-chloro-2-(2-ethoxyethoxy)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-[5-chloro-2-(2-ethoxyethoxy)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-[5-chloro-2-(2-ethoxyethoxy)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is CCOCCOc1ccc(Cl)cc1NC(=O)CC1CSCCN1.Cl.
What is the InChIKey of N-[5-chloro-2-(2-ethoxyethoxy)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is QMQZMDXOISIXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3S.ClH/c1-2-21-6-7-22-15-4-3-12(17)9-14(15)19-16(20)10-13-11-23-8-5-18-13;/h3-4,9,13,18H,2,5-8,10-11H2,1H3,(H,19,20);1H.
What are the key properties of N-[5-chloro-2-(2-ethoxyethoxy)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-[5-chloro-2-(2-ethoxyethoxy)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 395.35 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(2-ethoxyethoxy)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119938692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).