2-thiomorpholin-3-yl-N-[2-(trifluoromethoxy)phenyl]acetamide

C13H15F3N2O2S — CID 66421203

IUPAC2-thiomorpholin-3-yl-N-[2-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(CC1CSCCN1)Nc1ccccc1OC(F)(F)F
InChIInChI=1S/C13H15F3N2O2S/c14-13(15,16)20-11-4-2-1-3-10(11)18-12(19)7-9-8-21-6-5-17-9/h1-4,9,17H,5-8H2,(H,18,19)
InChIKeyLAOPVYCQJNYRIZ-UHFFFAOYSA-N
MW320.34 g/mol
LogP2.62
Rot. Bonds4

About 2-thiomorpholin-3-yl-N-[2-(trifluoromethoxy)phenyl]acetamide

2-thiomorpholin-3-yl-N-[2-(trifluoromethoxy)phenyl]acetamide (PubChem CID 66421203) has the molecular formula C13H15F3N2O2S and a molecular weight of 320.34 g/mol. Its IUPAC name is 2-thiomorpholin-3-yl-N-[2-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-thiomorpholin-3-yl-N-[2-(trifluoromethoxy)phenyl]acetamide
PubChem CID66421203
Molecular FormulaC13H15F3N2O2S
Molecular Weight320.34 g/mol
Exact Mass320.08
IUPAC Name2-thiomorpholin-3-yl-N-[2-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(CC1CSCCN1)Nc1ccccc1OC(F)(F)F
InChIInChI=1S/C13H15F3N2O2S/c14-13(15,16)20-11-4-2-1-3-10(11)18-12(19)7-9-8-21-6-5-17-9/h1-4,9,17H,5-8H2,(H,18,19)
InChIKeyLAOPVYCQJNYRIZ-UHFFFAOYSA-N
XLogP2.62
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-thiomorpholin-3-yl-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 66420618
2-thiomorpholin-3-yl-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide;hydrochloride
CID 119936148
2-thiomorpholin-3-yl-N-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride
CID 119934992
N-[2-methyl-3-(trifluoromethyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936226
N-tert-butyl-2-[(2-thiomorpholin-3-ylacetyl)amino]benzamide
CID 119936161
N-[2-(dimethylamino)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941042
N-[2-[(dimethylamino)methyl]phenyl]-2-thiomorpholin-3-ylacetamide
CID 66420040
N-[2-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]pyrrolidine-1-carboxamide
CID 119937230
2-fluoro-6-[(2-thiomorpholin-3-ylacetyl)amino]benzoic acid
CID 66421077
N-(2-methoxy-4-methylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66420261
N-(4-fluoro-2-propoxyphenyl)-2-thiomorpholin-3-ylacetamide
CID 119940311
N-(2-pyrrolidin-1-ylphenyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119934863

Frequently Asked Questions

What is the IUPAC name of 2-thiomorpholin-3-yl-N-[2-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-thiomorpholin-3-yl-N-[2-(trifluoromethoxy)phenyl]acetamide (CID 66421203) is 2-thiomorpholin-3-yl-N-[2-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-thiomorpholin-3-yl-N-[2-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-thiomorpholin-3-yl-N-[2-(trifluoromethoxy)phenyl]acetamide is O=C(CC1CSCCN1)Nc1ccccc1OC(F)(F)F.
What is the InChIKey of 2-thiomorpholin-3-yl-N-[2-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is LAOPVYCQJNYRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2S/c14-13(15,16)20-11-4-2-1-3-10(11)18-12(19)7-9-8-21-6-5-17-9/h1-4,9,17H,5-8H2,(H,18,19).
What are the key properties of 2-thiomorpholin-3-yl-N-[2-(trifluoromethoxy)phenyl]acetamide?
2-thiomorpholin-3-yl-N-[2-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 320.34 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiomorpholin-3-yl-N-[2-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 66421203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).