N-[1-(4-ethylsulfanylphenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride

C15H25ClN2O2S — CID 119774161

IUPACN-[1-(4-ethylsulfanylphenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
SMILESCCSc1ccc(C(C)NC(=O)CNCCOC)cc1.Cl
InChIInChI=1S/C15H24N2O2S.ClH/c1-4-20-14-7-5-13(6-8-14)12(2)17-15(18)11-16-9-10-19-3;/h5-8,12,16H,4,9-11H2,1-3H3,(H,17,18);1H
InChIKeyLCKSACOSXUCCKS-UHFFFAOYSA-N
MW332.90 g/mol
LogP2.63
Rot. Bonds9

About N-[1-(4-ethylsulfanylphenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride

N-[1-(4-ethylsulfanylphenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride (PubChem CID 119774161) has the molecular formula C15H25ClN2O2S and a molecular weight of 332.90 g/mol. Its IUPAC name is N-[1-(4-ethylsulfanylphenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(4-ethylsulfanylphenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
PubChem CID119774161
Molecular FormulaC15H25ClN2O2S
Molecular Weight332.90 g/mol
Exact Mass332.13
IUPAC NameN-[1-(4-ethylsulfanylphenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
SMILESCCSc1ccc(C(C)NC(=O)CNCCOC)cc1.Cl
InChIInChI=1S/C15H24N2O2S.ClH/c1-4-20-14-7-5-13(6-8-14)12(2)17-15(18)11-16-9-10-19-3;/h5-8,12,16H,4,9-11H2,1-3H3,(H,17,18);1H
InChIKeyLCKSACOSXUCCKS-UHFFFAOYSA-N
XLogP2.63
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.90
LogP ≤ 52.63
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

2-(2-methoxyethylamino)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 81364417
N-[1-(3,4-dichlorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119686021
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxyethylamino)acetamide
CID 79270541
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide
CID 81371825
N-[(1R)-1-(4-ethylsulfanylphenyl)ethyl]-2-(methanesulfonamido)acetamide
CID 95296945
3-amino-N-[1-(4-ethylsulfanylphenyl)ethyl]propanamide
CID 119318049
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2-methoxyethylamino)acetamide
CID 78908462
2-(4-aminophenyl)-N-[1-(4-ethylsulfanylphenyl)ethyl]acetamide;hydrochloride
CID 119774122
N-[1-(2,4-dichlorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119683876
2-(2-methoxyethylamino)-N-[1-(4-methoxyphenyl)propyl]acetamide;hydrochloride
CID 119689364
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119691382
2-(2-methoxyethylamino)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide;hydrochloride
CID 119729824

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylsulfanylphenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The IUPAC name of N-[1-(4-ethylsulfanylphenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride (CID 119774161) is N-[1-(4-ethylsulfanylphenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[1-(4-ethylsulfanylphenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The canonical SMILES for N-[1-(4-ethylsulfanylphenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride is CCSc1ccc(C(C)NC(=O)CNCCOC)cc1.Cl.
What is the InChIKey of N-[1-(4-ethylsulfanylphenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The InChIKey is LCKSACOSXUCCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S.ClH/c1-4-20-14-7-5-13(6-8-14)12(2)17-15(18)11-16-9-10-19-3;/h5-8,12,16H,4,9-11H2,1-3H3,(H,17,18);1H.
What are the key properties of N-[1-(4-ethylsulfanylphenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
N-[1-(4-ethylsulfanylphenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride has a molecular weight of 332.90 g/mol, XLogP of 2.63, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylsulfanylphenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride is sourced from PubChem (CID 119774161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).