N-ethyl-N-(4-fluorophenyl)-2-thiomorpholin-3-ylacetamide

C14H19FN2OS — CID 66422087

IUPACN-ethyl-N-(4-fluorophenyl)-2-thiomorpholin-3-ylacetamide
SMILESCCN(C(=O)CC1CSCCN1)c1ccc(F)cc1
InChIInChI=1S/C14H19FN2OS/c1-2-17(13-5-3-11(15)4-6-13)14(18)9-12-10-19-8-7-16-12/h3-6,12,16H,2,7-10H2,1H3
InChIKeyNESROUQEMNGAHW-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.27
Rot. Bonds4

About N-ethyl-N-(4-fluorophenyl)-2-thiomorpholin-3-ylacetamide

N-ethyl-N-(4-fluorophenyl)-2-thiomorpholin-3-ylacetamide (PubChem CID 66422087) has the molecular formula C14H19FN2OS and a molecular weight of 282.38 g/mol. Its IUPAC name is N-ethyl-N-(4-fluorophenyl)-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-ethyl-N-(4-fluorophenyl)-2-thiomorpholin-3-ylacetamide
PubChem CID66422087
Molecular FormulaC14H19FN2OS
Molecular Weight282.38 g/mol
Exact Mass282.12
IUPAC NameN-ethyl-N-(4-fluorophenyl)-2-thiomorpholin-3-ylacetamide
SMILESCCN(C(=O)CC1CSCCN1)c1ccc(F)cc1
InChIInChI=1S/C14H19FN2OS/c1-2-17(13-5-3-11(15)4-6-13)14(18)9-12-10-19-8-7-16-12/h3-6,12,16H,2,7-10H2,1H3
InChIKeyNESROUQEMNGAHW-UHFFFAOYSA-N
XLogP2.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-phenyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119934908
N-(3,5-dimethylphenyl)-N-ethyl-2-thiomorpholin-3-ylacetamide
CID 119937530
N-ethyl-N-(2-fluorophenyl)-2-thiomorpholin-3-ylacetamide
CID 66422086
N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66421451
N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide
CID 119939621
N-benzyl-N-(4-methoxyphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935581
N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66421653
N-ethyl-N-(4-fluorophenyl)-2-piperidin-4-ylacetamide;hydrochloride
CID 119690587
N-[(S)-(4-fluorophenyl)-pyrimidin-2-ylmethyl]-N-methyl-2-[(3S)-thiomorpholin-3-yl]acetamide
CID 99815846
N-[(2-fluorophenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66422615
N-[(4-methylphenyl)methyl]-N-propyl-2-thiomorpholin-3-ylacetamide
CID 66422844
2-(3,4-dihydroxypyrrolidin-1-yl)-N-ethyl-N-(4-fluorophenyl)acetamide
CID 106672010

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-fluorophenyl)-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-ethyl-N-(4-fluorophenyl)-2-thiomorpholin-3-ylacetamide (CID 66422087) is N-ethyl-N-(4-fluorophenyl)-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-ethyl-N-(4-fluorophenyl)-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-ethyl-N-(4-fluorophenyl)-2-thiomorpholin-3-ylacetamide is CCN(C(=O)CC1CSCCN1)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-N-(4-fluorophenyl)-2-thiomorpholin-3-ylacetamide?
The InChIKey is NESROUQEMNGAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2OS/c1-2-17(13-5-3-11(15)4-6-13)14(18)9-12-10-19-8-7-16-12/h3-6,12,16H,2,7-10H2,1H3.
What are the key properties of N-ethyl-N-(4-fluorophenyl)-2-thiomorpholin-3-ylacetamide?
N-ethyl-N-(4-fluorophenyl)-2-thiomorpholin-3-ylacetamide has a molecular weight of 282.38 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-fluorophenyl)-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 66422087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).