N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]-2-thiomorpholin-3-ylacetamide

C14H17F3N2OS2 — CID 119939533

IUPACN-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)Nc1cc(F)ccc1SCC(F)F
InChIInChI=1S/C14H17F3N2OS2/c15-9-1-2-12(22-8-13(16)17)11(5-9)19-14(20)6-10-7-21-4-3-18-10/h1-2,5,10,13,18H,3-4,6-8H2,(H,19,20)
InChIKeyARENISJEVDLUKP-UHFFFAOYSA-N
MW350.43 g/mol
LogP3.22
Rot. Bonds6

About N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]-2-thiomorpholin-3-ylacetamide

N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119939533) has the molecular formula C14H17F3N2OS2 and a molecular weight of 350.43 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]-2-thiomorpholin-3-ylacetamide
PubChem CID119939533
Molecular FormulaC14H17F3N2OS2
Molecular Weight350.43 g/mol
Exact Mass350.07
IUPAC NameN-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)Nc1cc(F)ccc1SCC(F)F
InChIInChI=1S/C14H17F3N2OS2/c15-9-1-2-12(22-8-13(16)17)11(5-9)19-14(20)6-10-7-21-4-3-18-10/h1-2,5,10,13,18H,3-4,6-8H2,(H,19,20)
InChIKeyARENISJEVDLUKP-UHFFFAOYSA-N
XLogP3.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-ethylsulfanylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938825
N-(3,5-difluorophenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935785
4,5-difluoro-2-[(2-thiomorpholin-3-ylacetyl)amino]benzoic acid
CID 66421304
N-(4-fluoro-2-propoxyphenyl)-2-thiomorpholin-3-ylacetamide
CID 119940311
N-(5-fluoro-2-pyridinyl)-2-thiomorpholin-3-ylacetamide
CID 66420730
2-fluoro-6-[(2-thiomorpholin-3-ylacetyl)amino]benzoic acid
CID 66421077
N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119938950
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936634
2-thiomorpholin-3-yl-N-(3,4,5-trifluorophenyl)acetamide
CID 66420511
2-thiomorpholin-3-yl-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide;hydrochloride
CID 119936148
N-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]-2-thiomorpholin-3-ylacetamide
CID 119938914
N-[2-(4-fluoroanilino)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938107

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]-2-thiomorpholin-3-ylacetamide (CID 119939533) is N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]-2-thiomorpholin-3-ylacetamide is O=C(CC1CSCCN1)Nc1cc(F)ccc1SCC(F)F.
What is the InChIKey of N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is ARENISJEVDLUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2OS2/c15-9-1-2-12(22-8-13(16)17)11(5-9)19-14(20)6-10-7-21-4-3-18-10/h1-2,5,10,13,18H,3-4,6-8H2,(H,19,20).
What are the key properties of N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]-2-thiomorpholin-3-ylacetamide?
N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 350.43 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119939533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).