2-(2-aminoethoxy)-5-methyl-N-(2-phenylsulfanylethyl)benzamide

C18H22N2O2S — CID 118764914

IUPAC2-(2-aminoethoxy)-5-methyl-N-(2-phenylsulfanylethyl)benzamide
SMILESCc1ccc(OCCN)c(C(=O)NCCSc2ccccc2)c1
InChIInChI=1S/C18H22N2O2S/c1-14-7-8-17(22-11-9-19)16(13-14)18(21)20-10-12-23-15-5-3-2-4-6-15/h2-8,13H,9-12,19H2,1H3,(H,20,21)
InChIKeyPUBRLRCTJUXLGT-UHFFFAOYSA-N
MW330.45 g/mol
LogP2.85
Rot. Bonds8

About 2-(2-aminoethoxy)-5-methyl-N-(2-phenylsulfanylethyl)benzamide

2-(2-aminoethoxy)-5-methyl-N-(2-phenylsulfanylethyl)benzamide (PubChem CID 118764914) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-5-methyl-N-(2-phenylsulfanylethyl)benzamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-5-methyl-N-(2-phenylsulfanylethyl)benzamide
PubChem CID118764914
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name2-(2-aminoethoxy)-5-methyl-N-(2-phenylsulfanylethyl)benzamide
SMILESCc1ccc(OCCN)c(C(=O)NCCSc2ccccc2)c1
InChIInChI=1S/C18H22N2O2S/c1-14-7-8-17(22-11-9-19)16(13-14)18(21)20-10-12-23-15-5-3-2-4-6-15/h2-8,13H,9-12,19H2,1H3,(H,20,21)
InChIKeyPUBRLRCTJUXLGT-UHFFFAOYSA-N
XLogP2.85
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-aminoethoxy)-5-methyl-N-(2-phenylsulfanylethyl)benzamide 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

2-bromo-5-methyl-N-(2-phenylsulfanylethyl)benzamide
CID 80965861
N-(2-aminoethyl)-2-ethoxy-5-methylbenzamide
CID 84613985
2-amino-N-(2-phenylsulfanylethyl)benzamide
CID 60977100
N-(2-benzylsulfanylethyl)-2-methoxy-5-methylbenzamide
CID 9470342
N-[1-[5-methyl-2-(2-phenylsulfanylethoxy)phenyl]ethylidene]hydroxylamine
CID 79227708
2-hydroxy-N-(2-phenylsulfanylethyl)benzamide
CID 27887658
ethyl acetate;2-phenylsulfanylethanamine;N-(2-phenylsulfanylethyl)acetamide
CID 159708212
N-[2-(2,4-dimethylphenoxy)ethyl]-2-phenylsulfanylacetamide
CID 26446526
3-fluoro-4-methoxy-N-(2-phenylsulfanylethyl)benzamide
CID 9483134
2-fluoro-N-[2-(2-methoxy-4-methylphenoxy)ethyl]benzamide
CID 113101791
2-[5-methyl-2-(2-phenylsulfanylethoxy)phenyl]ethanamine
CID 79227935
3,4,5-triethoxy-N-(2-phenylsulfanylethyl)benzamide
CID 27677815

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-5-methyl-N-(2-phenylsulfanylethyl)benzamide?
The IUPAC name of 2-(2-aminoethoxy)-5-methyl-N-(2-phenylsulfanylethyl)benzamide (CID 118764914) is 2-(2-aminoethoxy)-5-methyl-N-(2-phenylsulfanylethyl)benzamide.
What is the SMILES notation for 2-(2-aminoethoxy)-5-methyl-N-(2-phenylsulfanylethyl)benzamide?
The canonical SMILES for 2-(2-aminoethoxy)-5-methyl-N-(2-phenylsulfanylethyl)benzamide is Cc1ccc(OCCN)c(C(=O)NCCSc2ccccc2)c1.
What is the InChIKey of 2-(2-aminoethoxy)-5-methyl-N-(2-phenylsulfanylethyl)benzamide?
The InChIKey is PUBRLRCTJUXLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-14-7-8-17(22-11-9-19)16(13-14)18(21)20-10-12-23-15-5-3-2-4-6-15/h2-8,13H,9-12,19H2,1H3,(H,20,21).
What are the key properties of 2-(2-aminoethoxy)-5-methyl-N-(2-phenylsulfanylethyl)benzamide?
2-(2-aminoethoxy)-5-methyl-N-(2-phenylsulfanylethyl)benzamide has a molecular weight of 330.45 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-5-methyl-N-(2-phenylsulfanylethyl)benzamide is sourced from PubChem (CID 118764914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).