3-(4-fluorophenyl)sulfanyl-2-methyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]propanamide

C19H27FN2O2S2 — CID 71856835

IUPAC3-(4-fluorophenyl)sulfanyl-2-methyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]propanamide
SMILESCC(CSc1ccc(F)cc1)C(=O)NCC1(N2CCOCC2)CCSC1
InChIInChI=1S/C19H27FN2O2S2/c1-15(12-26-17-4-2-16(20)3-5-17)18(23)21-13-19(6-11-25-14-19)22-7-9-24-10-8-22/h2-5,15H,6-14H2,1H3,(H,21,23)
InChIKeyQCWDSCNIIWFHCC-UHFFFAOYSA-N
MW398.57 g/mol
LogP2.88
Rot. Bonds7

About 3-(4-fluorophenyl)sulfanyl-2-methyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]propanamide

3-(4-fluorophenyl)sulfanyl-2-methyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]propanamide (PubChem CID 71856835) has the molecular formula C19H27FN2O2S2 and a molecular weight of 398.57 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfanyl-2-methyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfanyl-2-methyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]propanamide
PubChem CID71856835
Molecular FormulaC19H27FN2O2S2
Molecular Weight398.57 g/mol
Exact Mass398.15
IUPAC Name3-(4-fluorophenyl)sulfanyl-2-methyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]propanamide
SMILESCC(CSc1ccc(F)cc1)C(=O)NCC1(N2CCOCC2)CCSC1
InChIInChI=1S/C19H27FN2O2S2/c1-15(12-26-17-4-2-16(20)3-5-17)18(23)21-13-19(6-11-25-14-19)22-7-9-24-10-8-22/h2-5,15H,6-14H2,1H3,(H,21,23)
InChIKeyQCWDSCNIIWFHCC-UHFFFAOYSA-N
XLogP2.88
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.57
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(4-fluorophenyl)sulfanyl-2-methyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]propanamide with MolForge

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Related Compounds

2-[(2-fluorophenyl)sulfonylamino]-N-(2-methyl-2-morpholin-4-ylpropyl)-4-methylsulfanylbutanamide
CID 4878801
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CID 18169460
N-[2-(4-morpholinyl)ethyl]-3-(phenylthio)propanamide
CID 2226422
N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-phenylsulfanylacetamide
CID 17473623
2-(4-fluorophenyl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 4802479
2-((4-fluorophenyl)thio)-N-((1-(2-methoxyethyl)piperidin-4-yl)methyl)acetamide
CID 45558648
Methyl 4-({2-[(4-fluorophenyl)sulfanyl]acetamido}methyl)piperidine-1-carboxylate
CID 49688809
3-(4-fluorophenyl)sulfanyl-N-(2-morpholin-4-ylethyl)propanamide
CID 51072649
N-(2-morpholin-4-ylethyl)-2-phenylsulfanylacetamide
CID 798143
3-(4-fluorophenyl)sulfonyl-2-methyl-N-(1-morpholin-4-ylpropan-2-yl)propanamide
CID 71856869
[(2S)-1-[4-(4-fluorophenyl)sulfanylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl] N-tert-butylcarbamate
CID 90897806
(4-Aminooxan-4-yl)-[3-(4-fluorophenyl)sulfanylpyrrolidin-1-yl]methanone
CID 134373797

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfanyl-2-methyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]propanamide?
The IUPAC name of 3-(4-fluorophenyl)sulfanyl-2-methyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]propanamide (CID 71856835) is 3-(4-fluorophenyl)sulfanyl-2-methyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)sulfanyl-2-methyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]propanamide?
The canonical SMILES for 3-(4-fluorophenyl)sulfanyl-2-methyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]propanamide is CC(CSc1ccc(F)cc1)C(=O)NCC1(N2CCOCC2)CCSC1.
What is the InChIKey of 3-(4-fluorophenyl)sulfanyl-2-methyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]propanamide?
The InChIKey is QCWDSCNIIWFHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O2S2/c1-15(12-26-17-4-2-16(20)3-5-17)18(23)21-13-19(6-11-25-14-19)22-7-9-24-10-8-22/h2-5,15H,6-14H2,1H3,(H,21,23).
What are the key properties of 3-(4-fluorophenyl)sulfanyl-2-methyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]propanamide?
3-(4-fluorophenyl)sulfanyl-2-methyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]propanamide has a molecular weight of 398.57 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfanyl-2-methyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]propanamide is sourced from PubChem (CID 71856835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).