2-(2,3-dimethylphenoxy)-N-(2-morpholin-4-ylethyl)ethanethioamide

C16H24N2O2S — CID 19853188

IUPAC2-(2,3-dimethylphenoxy)-N-(2-morpholin-4-ylethyl)ethanethioamide
SMILESCc1cccc(OCC(=S)NCCN2CCOCC2)c1C
InChIInChI=1S/C16H24N2O2S/c1-13-4-3-5-15(14(13)2)20-12-16(21)17-6-7-18-8-10-19-11-9-18/h3-5H,6-12H2,1-2H3,(H,17,21)
InChIKeyMUUVHFBPUPNFOM-UHFFFAOYSA-N
MW308.45 g/mol
LogP1.93
Rot. Bonds6

About 2-(2,3-dimethylphenoxy)-N-(2-morpholin-4-ylethyl)ethanethioamide

2-(2,3-dimethylphenoxy)-N-(2-morpholin-4-ylethyl)ethanethioamide (PubChem CID 19853188) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-N-(2-morpholin-4-ylethyl)ethanethioamide.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-N-(2-morpholin-4-ylethyl)ethanethioamide
PubChem CID19853188
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name2-(2,3-dimethylphenoxy)-N-(2-morpholin-4-ylethyl)ethanethioamide
SMILESCc1cccc(OCC(=S)NCCN2CCOCC2)c1C
InChIInChI=1S/C16H24N2O2S/c1-13-4-3-5-15(14(13)2)20-12-16(21)17-6-7-18-8-10-19-11-9-18/h3-5H,6-12H2,1-2H3,(H,17,21)
InChIKeyMUUVHFBPUPNFOM-UHFFFAOYSA-N
XLogP1.93
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2,3-dimethylphenoxy)-N-(2-morpholin-4-ylethyl)ethanethioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-N-(2-morpholin-4-ylethyl)ethanethioamide?
The IUPAC name of 2-(2,3-dimethylphenoxy)-N-(2-morpholin-4-ylethyl)ethanethioamide (CID 19853188) is 2-(2,3-dimethylphenoxy)-N-(2-morpholin-4-ylethyl)ethanethioamide.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-N-(2-morpholin-4-ylethyl)ethanethioamide?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-N-(2-morpholin-4-ylethyl)ethanethioamide is Cc1cccc(OCC(=S)NCCN2CCOCC2)c1C.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-N-(2-morpholin-4-ylethyl)ethanethioamide?
The InChIKey is MUUVHFBPUPNFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-13-4-3-5-15(14(13)2)20-12-16(21)17-6-7-18-8-10-19-11-9-18/h3-5H,6-12H2,1-2H3,(H,17,21).
What are the key properties of 2-(2,3-dimethylphenoxy)-N-(2-morpholin-4-ylethyl)ethanethioamide?
2-(2,3-dimethylphenoxy)-N-(2-morpholin-4-ylethyl)ethanethioamide has a molecular weight of 308.45 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenoxy)-N-(2-morpholin-4-ylethyl)ethanethioamide is sourced from PubChem (CID 19853188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).