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

C18H23ClN2OS — CID 119774122

IUPAC2-(4-aminophenyl)-N-[1-(4-ethylsulfanylphenyl)ethyl]acetamide;hydrochloride
SMILESCCSc1ccc(C(C)NC(=O)Cc2ccc(N)cc2)cc1.Cl
InChIInChI=1S/C18H22N2OS.ClH/c1-3-22-17-10-6-15(7-11-17)13(2)20-18(21)12-14-4-8-16(19)9-5-14;/h4-11,13H,3,12,19H2,1-2H3,(H,20,21);1H
InChIKeyLCEJPUNWWHJDHP-UHFFFAOYSA-N
MW350.92 g/mol
LogP4.22
Rot. Bonds6

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

2-(4-aminophenyl)-N-[1-(4-ethylsulfanylphenyl)ethyl]acetamide;hydrochloride (PubChem CID 119774122) has the molecular formula C18H23ClN2OS and a molecular weight of 350.92 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[1-(4-ethylsulfanylphenyl)ethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[1-(4-ethylsulfanylphenyl)ethyl]acetamide;hydrochloride
PubChem CID119774122
Molecular FormulaC18H23ClN2OS
Molecular Weight350.92 g/mol
Exact Mass350.12
IUPAC Name2-(4-aminophenyl)-N-[1-(4-ethylsulfanylphenyl)ethyl]acetamide;hydrochloride
SMILESCCSc1ccc(C(C)NC(=O)Cc2ccc(N)cc2)cc1.Cl
InChIInChI=1S/C18H22N2OS.ClH/c1-3-22-17-10-6-15(7-11-17)13(2)20-18(21)12-14-4-8-16(19)9-5-14;/h4-11,13H,3,12,19H2,1-2H3,(H,20,21);1H
InChIKeyLCEJPUNWWHJDHP-UHFFFAOYSA-N
XLogP4.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.92
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 60927303
N-[1-(4-aminophenyl)ethyl]-2-(4-chlorophenyl)acetamide
CID 43297476
3-amino-N-[1-(4-ethylsulfanylphenyl)ethyl]propanamide
CID 119318049
2-(4-aminophenyl)sulfanyl-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43299114
N-[(1R)-1-(4-ethylsulfanylphenyl)ethyl]-2-(methanesulfonamido)acetamide
CID 95296945
2-(4-chlorophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CID 8751569
2-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 4878219
N-[1-(4-ethylsulfanylphenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119774161
N-[1-(4-ethylphenyl)ethyl]-2-phenylacetamide
CID 2854113
2-(4-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94843836
2-(4-chlorophenyl)-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 93236026
2-(5-amino-2-pyridinyl)-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide;hydrochloride
CID 120617873

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[1-(4-ethylsulfanylphenyl)ethyl]acetamide;hydrochloride?
The IUPAC name of 2-(4-aminophenyl)-N-[1-(4-ethylsulfanylphenyl)ethyl]acetamide;hydrochloride (CID 119774122) is 2-(4-aminophenyl)-N-[1-(4-ethylsulfanylphenyl)ethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(4-aminophenyl)-N-[1-(4-ethylsulfanylphenyl)ethyl]acetamide;hydrochloride?
The canonical SMILES for 2-(4-aminophenyl)-N-[1-(4-ethylsulfanylphenyl)ethyl]acetamide;hydrochloride is CCSc1ccc(C(C)NC(=O)Cc2ccc(N)cc2)cc1.Cl.
What is the InChIKey of 2-(4-aminophenyl)-N-[1-(4-ethylsulfanylphenyl)ethyl]acetamide;hydrochloride?
The InChIKey is LCEJPUNWWHJDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS.ClH/c1-3-22-17-10-6-15(7-11-17)13(2)20-18(21)12-14-4-8-16(19)9-5-14;/h4-11,13H,3,12,19H2,1-2H3,(H,20,21);1H.
What are the key properties of 2-(4-aminophenyl)-N-[1-(4-ethylsulfanylphenyl)ethyl]acetamide;hydrochloride?
2-(4-aminophenyl)-N-[1-(4-ethylsulfanylphenyl)ethyl]acetamide;hydrochloride has a molecular weight of 350.92 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[1-(4-ethylsulfanylphenyl)ethyl]acetamide;hydrochloride is sourced from PubChem (CID 119774122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).