2-(3-oxothiomorpholin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide

C13H13F3N2O2S — CID 666903

IUPAC2-(3-oxothiomorpholin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CC1SCCNC1=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H13F3N2O2S/c14-13(15,16)8-2-1-3-9(6-8)18-11(19)7-10-12(20)17-4-5-21-10/h1-3,6,10H,4-5,7H2,(H,17,20)(H,18,19)
InChIKeyUHKOGHPPNDNINL-UHFFFAOYSA-N
MW318.32 g/mol
LogP2.27
Rot. Bonds3

About 2-(3-oxothiomorpholin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide

2-(3-oxothiomorpholin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 666903) has the molecular formula C13H13F3N2O2S and a molecular weight of 318.32 g/mol. Its IUPAC name is 2-(3-oxothiomorpholin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-oxothiomorpholin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID666903
Molecular FormulaC13H13F3N2O2S
Molecular Weight318.32 g/mol
Exact Mass318.06
IUPAC Name2-(3-oxothiomorpholin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CC1SCCNC1=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H13F3N2O2S/c14-13(15,16)8-2-1-3-9(6-8)18-11(19)7-10-12(20)17-4-5-21-10/h1-3,6,10H,4-5,7H2,(H,17,20)(H,18,19)
InChIKeyUHKOGHPPNDNINL-UHFFFAOYSA-N
XLogP2.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3-oxothiomorpholin-2-yl)-N-[3-(trifluoromethyl)phenyl]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 2-(3-oxothiomorpholin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(3-oxothiomorpholin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (CID 666903) is 2-(3-oxothiomorpholin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(3-oxothiomorpholin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(3-oxothiomorpholin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(CC1SCCNC1=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(3-oxothiomorpholin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is UHKOGHPPNDNINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O2S/c14-13(15,16)8-2-1-3-9(6-8)18-11(19)7-10-12(20)17-4-5-21-10/h1-3,6,10H,4-5,7H2,(H,17,20)(H,18,19).
What are the key properties of 2-(3-oxothiomorpholin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
2-(3-oxothiomorpholin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 318.32 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxothiomorpholin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 666903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).