N-(2-ethylphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide

C14H18N2O2S — CID 4891766

IUPACN-(2-ethylphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide
SMILESCCc1ccccc1NC(=O)CC1SCCNC1=O
InChIInChI=1S/C14H18N2O2S/c1-2-10-5-3-4-6-11(10)16-13(17)9-12-14(18)15-7-8-19-12/h3-6,12H,2,7-9H2,1H3,(H,15,18)(H,16,17)
InChIKeyGSPCXFMOQXEVAD-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.81
Rot. Bonds4

About N-(2-ethylphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide

N-(2-ethylphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide (PubChem CID 4891766) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide
PubChem CID4891766
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC NameN-(2-ethylphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide
SMILESCCc1ccccc1NC(=O)CC1SCCNC1=O
InChIInChI=1S/C14H18N2O2S/c1-2-10-5-3-4-6-11(10)16-13(17)9-12-14(18)15-7-8-19-12/h3-6,12H,2,7-9H2,1H3,(H,15,18)(H,16,17)
InChIKeyGSPCXFMOQXEVAD-UHFFFAOYSA-N
XLogP1.81
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-ethylphenyl)-2-(3-oxothiomorpholin-2-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

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide (CID 4891766) is N-(2-ethylphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide is CCc1ccccc1NC(=O)CC1SCCNC1=O.
What is the InChIKey of N-(2-ethylphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide?
The InChIKey is GSPCXFMOQXEVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-2-10-5-3-4-6-11(10)16-13(17)9-12-14(18)15-7-8-19-12/h3-6,12H,2,7-9H2,1H3,(H,15,18)(H,16,17).
What are the key properties of N-(2-ethylphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide?
N-(2-ethylphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide has a molecular weight of 278.38 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide is sourced from PubChem (CID 4891766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).