N-(5-chloro-2-ethylsulfanylphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride

C13H20Cl2N2O2S — CID 119776586

IUPACN-(5-chloro-2-ethylsulfanylphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
SMILESCCSc1ccc(Cl)cc1NC(=O)CNCCOC.Cl
InChIInChI=1S/C13H19ClN2O2S.ClH/c1-3-19-12-5-4-10(14)8-11(12)16-13(17)9-15-6-7-18-2;/h4-5,8,15H,3,6-7,9H2,1-2H3,(H,16,17);1H
InChIKeyHWZLIRHVDDDMDN-UHFFFAOYSA-N
MW339.29 g/mol
LogP3.05
Rot. Bonds8

About N-(5-chloro-2-ethylsulfanylphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride

N-(5-chloro-2-ethylsulfanylphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride (PubChem CID 119776586) has the molecular formula C13H20Cl2N2O2S and a molecular weight of 339.29 g/mol. Its IUPAC name is N-(5-chloro-2-ethylsulfanylphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(5-chloro-2-ethylsulfanylphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
PubChem CID119776586
Molecular FormulaC13H20Cl2N2O2S
Molecular Weight339.29 g/mol
Exact Mass338.06
IUPAC NameN-(5-chloro-2-ethylsulfanylphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
SMILESCCSc1ccc(Cl)cc1NC(=O)CNCCOC.Cl
InChIInChI=1S/C13H19ClN2O2S.ClH/c1-3-19-12-5-4-10(14)8-11(12)16-13(17)9-15-6-7-18-2;/h4-5,8,15H,3,6-7,9H2,1-2H3,(H,16,17);1H
InChIKeyHWZLIRHVDDDMDN-UHFFFAOYSA-N
XLogP3.05
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.29
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 78908383
4-chloro-2-[[2-(2-methoxyethylamino)acetyl]amino]-N-propylbenzamide
CID 119712122
N-(2,4-dichlorophenyl)-2-(3-methoxypropylamino)acetamide
CID 54828800
N-(3-chlorophenyl)-2-(2-methoxyethylamino)acetamide
CID 28565603
5-chloro-N-(cyclopropylmethyl)-2-[[2-(2-methoxyethylamino)acetyl]amino]benzamide;hydrochloride
CID 119711772
N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(2-methoxyethylamino)acetamide
CID 119785490
N-(2,4-difluorophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119673290
N-(5-acetamido-2-fluorophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119705055
N-[1-(2,4-dichlorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119683876
5-chloro-N-(cyclopropylmethyl)-2-[[2-(2-methoxyethylamino)acetyl]amino]benzamide
CID 119711773
N-(2-chloro-5-fluorophenyl)-2-(2-methoxyethylamino)acetamide
CID 103808635
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119691382

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-ethylsulfanylphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride?
The IUPAC name of N-(5-chloro-2-ethylsulfanylphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride (CID 119776586) is N-(5-chloro-2-ethylsulfanylphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-(5-chloro-2-ethylsulfanylphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride?
The canonical SMILES for N-(5-chloro-2-ethylsulfanylphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride is CCSc1ccc(Cl)cc1NC(=O)CNCCOC.Cl.
What is the InChIKey of N-(5-chloro-2-ethylsulfanylphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride?
The InChIKey is HWZLIRHVDDDMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S.ClH/c1-3-19-12-5-4-10(14)8-11(12)16-13(17)9-15-6-7-18-2;/h4-5,8,15H,3,6-7,9H2,1-2H3,(H,16,17);1H.
What are the key properties of N-(5-chloro-2-ethylsulfanylphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride?
N-(5-chloro-2-ethylsulfanylphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride has a molecular weight of 339.29 g/mol, XLogP of 3.05, 8 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-(2-methoxyethylamino)acetamide;hydrochloride is sourced from PubChem (CID 119776586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).