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'}

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Related Compounds

3-amino-N-(2-methoxyethyl)-2-methyl-N-(thiolan-3-yl)benzamide
CID 61106398
4-amino-N-(2-methoxyethyl)-3-methyl-N-(thiolan-3-yl)benzamide
CID 60945101
3-amino-2,6-difluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide
CID 79759087
7-amino-N-(2-methoxyethyl)-N-(thiolan-3-yl)heptanamide
CID 54871392
2-amino-2-cyclopropyl-N-(2-methoxyethyl)-N-(thiolan-3-yl)propanamide
CID 54871455
5-[2-methoxyethyl(thiolan-3-yl)amino]-5-oxopentanoic acid
CID 54875063
2-(azetidin-3-yl)-N-(2-methoxyethyl)-N-(thiolan-3-yl)acetamide
CID 64612000
4-amino-N-(2-methoxyethyl)-1-methyl-N-(thiolan-3-yl)pyrrole-2-carboxamide
CID 61106233
(2R)-2-amino-N-(2-methoxyethyl)-3-methyl-N-(thiolan-3-yl)butanamide
CID 79013230
N-[(2-aminophenyl)methyl]-N-cyclopropyl-3-methoxypropanamide
CID 55091731
3-amino-N-(2-methoxyethyl)-N-(thiolan-3-yl)-1H-pyrazole-5-carboxamide
CID 64523862
2-(2-aminophenyl)-N-(2-methoxyethyl)-N-propan-2-ylacetamide
CID 82949298

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).