N-[2-(4-fluorophenyl)ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide

C16H21FN2O3S — CID 4787595

IUPACN-[2-(4-fluorophenyl)ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
SMILESO=C(CSCC(=O)N1CCOCC1)NCCc1ccc(F)cc1
InChIInChI=1S/C16H21FN2O3S/c17-14-3-1-13(2-4-14)5-6-18-15(20)11-23-12-16(21)19-7-9-22-10-8-19/h1-4H,5-12H2,(H,18,20)
InChIKeyLWFYKBKFLLMCKY-UHFFFAOYSA-N
MW340.42 g/mol
LogP1.08
Rot. Bonds7

About N-[2-(4-fluorophenyl)ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide

N-[2-(4-fluorophenyl)ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide (PubChem CID 4787595) has the molecular formula C16H21FN2O3S and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
PubChem CID4787595
Molecular FormulaC16H21FN2O3S
Molecular Weight340.42 g/mol
Exact Mass340.13
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
SMILESO=C(CSCC(=O)N1CCOCC1)NCCc1ccc(F)cc1
InChIInChI=1S/C16H21FN2O3S/c17-14-3-1-13(2-4-14)5-6-18-15(20)11-23-12-16(21)19-7-9-22-10-8-19/h1-4H,5-12H2,(H,18,20)
InChIKeyLWFYKBKFLLMCKY-UHFFFAOYSA-N
XLogP1.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-fluorobenzyl)thio]-N-(2-phenylethyl)propanamide
CID 5055551
N-[3-(4-morpholinyl)propyl]-2-phenyl-2-(phenylthio)acetamide
CID 2862865
[2-[(4-Fluorophenyl)methylamino]-2-oxoethyl] 2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetate
CID 2999545
3-[(2-fluorobenzyl)thio]-N-(2-methoxyethyl)propanamide
CID 3236068
4-morpholin-4-yl-4-oxo-N-(2-phenylethyl)butanamide
CID 25162499
2-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide
CID 2219795
2-(benzylsulfanyl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 891225
N-[3-(morpholin-4-yl)propyl]-N'-(2-phenylethyl)ethanediamide
CID 3120489
3-[(2-fluorobenzyl)thio]-N-(2-phenylethyl)propanamide
CID 4571663
2-morpholin-4-yl-N-(2-phenylethyl)acetamide
CID 6470566
2-[(4-methylbenzyl)thio]-N-[3-(4-morpholinyl)propyl]acetamide
CID 2987188
2-(4-fluorophenyl)sulfanyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 18169460

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide (CID 4787595) is N-[2-(4-fluorophenyl)ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide is O=C(CSCC(=O)N1CCOCC1)NCCc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
The InChIKey is LWFYKBKFLLMCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O3S/c17-14-3-1-13(2-4-14)5-6-18-15(20)11-23-12-16(21)19-7-9-22-10-8-19/h1-4H,5-12H2,(H,18,20).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
N-[2-(4-fluorophenyl)ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide has a molecular weight of 340.42 g/mol, XLogP of 1.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide is sourced from PubChem (CID 4787595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).