3-(4-fluorophenyl)sulfanyl-N-(2-morpholin-4-ylethyl)propanamide

C15H21FN2O2S — CID 51072649

IUPAC3-(4-fluorophenyl)sulfanyl-N-(2-morpholin-4-ylethyl)propanamide
SMILESO=C(CCSc1ccc(F)cc1)NCCN1CCOCC1
InChIInChI=1S/C15H21FN2O2S/c16-13-1-3-14(4-2-13)21-12-5-15(19)17-6-7-18-8-10-20-11-9-18/h1-4H,5-12H2,(H,17,19)
InChIKeyLHHIWGFLAJEGEH-UHFFFAOYSA-N
MW312.41 g/mol
LogP1.76
Rot. Bonds7

About 3-(4-fluorophenyl)sulfanyl-N-(2-morpholin-4-ylethyl)propanamide

3-(4-fluorophenyl)sulfanyl-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 51072649) has the molecular formula C15H21FN2O2S and a molecular weight of 312.41 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfanyl-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfanyl-N-(2-morpholin-4-ylethyl)propanamide
PubChem CID51072649
Molecular FormulaC15H21FN2O2S
Molecular Weight312.41 g/mol
Exact Mass312.13
IUPAC Name3-(4-fluorophenyl)sulfanyl-N-(2-morpholin-4-ylethyl)propanamide
SMILESO=C(CCSc1ccc(F)cc1)NCCN1CCOCC1
InChIInChI=1S/C15H21FN2O2S/c16-13-1-3-14(4-2-13)21-12-5-15(19)17-6-7-18-8-10-20-11-9-18/h1-4H,5-12H2,(H,17,19)
InChIKeyLHHIWGFLAJEGEH-UHFFFAOYSA-N
XLogP1.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfanyl-N-(2-morpholin-4-ylethyl)propanamide?
The IUPAC name of 3-(4-fluorophenyl)sulfanyl-N-(2-morpholin-4-ylethyl)propanamide (CID 51072649) is 3-(4-fluorophenyl)sulfanyl-N-(2-morpholin-4-ylethyl)propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)sulfanyl-N-(2-morpholin-4-ylethyl)propanamide?
The canonical SMILES for 3-(4-fluorophenyl)sulfanyl-N-(2-morpholin-4-ylethyl)propanamide is O=C(CCSc1ccc(F)cc1)NCCN1CCOCC1.
What is the InChIKey of 3-(4-fluorophenyl)sulfanyl-N-(2-morpholin-4-ylethyl)propanamide?
The InChIKey is LHHIWGFLAJEGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2S/c16-13-1-3-14(4-2-13)21-12-5-15(19)17-6-7-18-8-10-20-11-9-18/h1-4H,5-12H2,(H,17,19).
What are the key properties of 3-(4-fluorophenyl)sulfanyl-N-(2-morpholin-4-ylethyl)propanamide?
3-(4-fluorophenyl)sulfanyl-N-(2-morpholin-4-ylethyl)propanamide has a molecular weight of 312.41 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfanyl-N-(2-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 51072649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).