2-(2-aminophenyl)-N-(2-methoxyethyl)-N-(thiolan-3-yl)acetamide

C15H22N2O2S — CID 61106399

IUPAC2-(2-aminophenyl)-N-(2-methoxyethyl)-N-(thiolan-3-yl)acetamide
SMILESCOCCN(C(=O)Cc1ccccc1N)C1CCSC1
InChIInChI=1S/C15H22N2O2S/c1-19-8-7-17(13-6-9-20-11-13)15(18)10-12-4-2-3-5-14(12)16/h2-5,13H,6-11,16H2,1H3
InChIKeyRGTKOUVVTSIDDY-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.79
Rot. Bonds6

About 2-(2-aminophenyl)-N-(2-methoxyethyl)-N-(thiolan-3-yl)acetamide

2-(2-aminophenyl)-N-(2-methoxyethyl)-N-(thiolan-3-yl)acetamide (PubChem CID 61106399) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-(2-aminophenyl)-N-(2-methoxyethyl)-N-(thiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-aminophenyl)-N-(2-methoxyethyl)-N-(thiolan-3-yl)acetamide
PubChem CID61106399
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name2-(2-aminophenyl)-N-(2-methoxyethyl)-N-(thiolan-3-yl)acetamide
SMILESCOCCN(C(=O)Cc1ccccc1N)C1CCSC1
InChIInChI=1S/C15H22N2O2S/c1-19-8-7-17(13-6-9-20-11-13)15(18)10-12-4-2-3-5-14(12)16/h2-5,13H,6-11,16H2,1H3
InChIKeyRGTKOUVVTSIDDY-UHFFFAOYSA-N
XLogP1.79
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-aminophenyl)-N-(2-methoxyethyl)-N-(thiolan-3-yl)acetamide 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

Ethyl 2-[5-[(4-aminophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
CID 76312305
2-(benzylthio)-N-(4-(2-((2-methoxyethyl)amino)-2-oxoethyl)phenyl)acetamide
CID 45504913
Ethyl 2-[5-[(3-aminophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
CID 76330399
2-(4-aminophenyl)-N-methyl-N-(3-methylsulfonylbutan-2-yl)acetamide
CID 102560176
2-amino-5-fluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide
CID 60946011
3-amino-4-fluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide
CID 61106231
3-amino-5-fluoro-N-(2-methoxyethyl)-4-methyl-N-(thiolan-3-yl)benzamide
CID 61106235
5-amino-2-fluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide
CID 61106402
5-amino-2,4-difluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide
CID 61106576
4-amino-2-fluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide
CID 61703791
2-amino-4,5-difluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide
CID 61991994
4-amino-3-fluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide
CID 62681145

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-N-(2-methoxyethyl)-N-(thiolan-3-yl)acetamide?
The IUPAC name of 2-(2-aminophenyl)-N-(2-methoxyethyl)-N-(thiolan-3-yl)acetamide (CID 61106399) is 2-(2-aminophenyl)-N-(2-methoxyethyl)-N-(thiolan-3-yl)acetamide.
What is the SMILES notation for 2-(2-aminophenyl)-N-(2-methoxyethyl)-N-(thiolan-3-yl)acetamide?
The canonical SMILES for 2-(2-aminophenyl)-N-(2-methoxyethyl)-N-(thiolan-3-yl)acetamide is COCCN(C(=O)Cc1ccccc1N)C1CCSC1.
What is the InChIKey of 2-(2-aminophenyl)-N-(2-methoxyethyl)-N-(thiolan-3-yl)acetamide?
The InChIKey is RGTKOUVVTSIDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-19-8-7-17(13-6-9-20-11-13)15(18)10-12-4-2-3-5-14(12)16/h2-5,13H,6-11,16H2,1H3.
What are the key properties of 2-(2-aminophenyl)-N-(2-methoxyethyl)-N-(thiolan-3-yl)acetamide?
2-(2-aminophenyl)-N-(2-methoxyethyl)-N-(thiolan-3-yl)acetamide has a molecular weight of 294.42 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-N-(2-methoxyethyl)-N-(thiolan-3-yl)acetamide is sourced from PubChem (CID 61106399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).