N-[2-(4-fluorophenyl)-2-methoxyethyl]thiomorpholine-4-carboxamide

C14H19FN2O2S — CID 71867525

IUPACN-[2-(4-fluorophenyl)-2-methoxyethyl]thiomorpholine-4-carboxamide
SMILESCOC(CNC(=O)N1CCSCC1)c1ccc(F)cc1
InChIInChI=1S/C14H19FN2O2S/c1-19-13(11-2-4-12(15)5-3-11)10-16-14(18)17-6-8-20-9-7-17/h2-5,13H,6-10H2,1H3,(H,16,18)
InChIKeyLTAQBYLNMOWBOH-UHFFFAOYSA-N
MW298.38 g/mol
LogP2.27
Rot. Bonds4

About N-[2-(4-fluorophenyl)-2-methoxyethyl]thiomorpholine-4-carboxamide

N-[2-(4-fluorophenyl)-2-methoxyethyl]thiomorpholine-4-carboxamide (PubChem CID 71867525) has the molecular formula C14H19FN2O2S and a molecular weight of 298.38 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-methoxyethyl]thiomorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-methoxyethyl]thiomorpholine-4-carboxamide
PubChem CID71867525
Molecular FormulaC14H19FN2O2S
Molecular Weight298.38 g/mol
Exact Mass298.12
IUPAC NameN-[2-(4-fluorophenyl)-2-methoxyethyl]thiomorpholine-4-carboxamide
SMILESCOC(CNC(=O)N1CCSCC1)c1ccc(F)cc1
InChIInChI=1S/C14H19FN2O2S/c1-19-13(11-2-4-12(15)5-3-11)10-16-14(18)17-6-8-20-9-7-17/h2-5,13H,6-10H2,1H3,(H,16,18)
InChIKeyLTAQBYLNMOWBOH-UHFFFAOYSA-N
XLogP2.27
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-methoxyethyl]thiomorpholine-4-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-methoxyethyl]thiomorpholine-4-carboxamide (CID 71867525) is N-[2-(4-fluorophenyl)-2-methoxyethyl]thiomorpholine-4-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-methoxyethyl]thiomorpholine-4-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-methoxyethyl]thiomorpholine-4-carboxamide is COC(CNC(=O)N1CCSCC1)c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-methoxyethyl]thiomorpholine-4-carboxamide?
The InChIKey is LTAQBYLNMOWBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2S/c1-19-13(11-2-4-12(15)5-3-11)10-16-14(18)17-6-8-20-9-7-17/h2-5,13H,6-10H2,1H3,(H,16,18).
What are the key properties of N-[2-(4-fluorophenyl)-2-methoxyethyl]thiomorpholine-4-carboxamide?
N-[2-(4-fluorophenyl)-2-methoxyethyl]thiomorpholine-4-carboxamide has a molecular weight of 298.38 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-[2-(4-fluorophenyl)-2-methoxyethyl]thiomorpholine-4-carboxamide is sourced from PubChem (CID 71867525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).