N-(5-chloro-2-ethylsulfanylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride

C14H20Cl2N2OS2 — CID 119938825

IUPACN-(5-chloro-2-ethylsulfanylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCCSc1ccc(Cl)cc1NC(=O)CC1CSCCN1.Cl
InChIInChI=1S/C14H19ClN2OS2.ClH/c1-2-20-13-4-3-10(15)7-12(13)17-14(18)8-11-9-19-6-5-16-11;/h3-4,7,11,16H,2,5-6,8-9H2,1H3,(H,17,18);1H
InChIKeyPYCVFWSHNCKKLP-UHFFFAOYSA-N
MW367.37 g/mol
LogP3.91
Rot. Bonds5

About N-(5-chloro-2-ethylsulfanylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride

N-(5-chloro-2-ethylsulfanylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119938825) has the molecular formula C14H20Cl2N2OS2 and a molecular weight of 367.37 g/mol. Its IUPAC name is N-(5-chloro-2-ethylsulfanylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(5-chloro-2-ethylsulfanylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119938825
Molecular FormulaC14H20Cl2N2OS2
Molecular Weight367.37 g/mol
Exact Mass366.04
IUPAC NameN-(5-chloro-2-ethylsulfanylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCCSc1ccc(Cl)cc1NC(=O)CC1CSCCN1.Cl
InChIInChI=1S/C14H19ClN2OS2.ClH/c1-2-20-13-4-3-10(15)7-12(13)17-14(18)8-11-9-19-6-5-16-11;/h3-4,7,11,16H,2,5-6,8-9H2,1H3,(H,17,18);1H
InChIKeyPYCVFWSHNCKKLP-UHFFFAOYSA-N
XLogP3.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-ethyl-2-[(2-thiomorpholin-3-ylacetyl)amino]benzamide;hydrochloride
CID 119936426
N-[5-chloro-2-(2-ethoxyethoxy)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938692
N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]-2-thiomorpholin-3-ylacetamide
CID 119939533
N-[1-(4-chlorophenyl)propyl]-2-thiomorpholin-3-ylacetamide
CID 66421232
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 81372204
N-[1-(3-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66420480
N-(2-acetamido-5-bromophenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938069
3-chloro-4-[(2-thiomorpholin-3-ylacetyl)amino]benzoic acid
CID 66420522
4-chloro-N-methyl-3-[(2-thiomorpholin-3-ylacetyl)amino]benzamide
CID 66420250
4,5-difluoro-2-[(2-thiomorpholin-3-ylacetyl)amino]benzoic acid
CID 66421304
N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 119937616
N-[2-(dimethylamino)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941042

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-ethylsulfanylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-(5-chloro-2-ethylsulfanylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119938825) is N-(5-chloro-2-ethylsulfanylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-(5-chloro-2-ethylsulfanylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-(5-chloro-2-ethylsulfanylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride is CCSc1ccc(Cl)cc1NC(=O)CC1CSCCN1.Cl.
What is the InChIKey of N-(5-chloro-2-ethylsulfanylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is PYCVFWSHNCKKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2OS2.ClH/c1-2-20-13-4-3-10(15)7-12(13)17-14(18)8-11-9-19-6-5-16-11;/h3-4,7,11,16H,2,5-6,8-9H2,1H3,(H,17,18);1H.
What are the key properties of N-(5-chloro-2-ethylsulfanylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-(5-chloro-2-ethylsulfanylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 367.37 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-ethylsulfanylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119938825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).