3-ethylsulfanyl-N-[(2R)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]propanamide

C17H25FN2O2S — CID 94815665

IUPAC3-ethylsulfanyl-N-[(2R)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]propanamide
SMILESCCSCCC(=O)NC[C@@H](c1cccc(F)c1)N1CCOCC1
InChIInChI=1S/C17H25FN2O2S/c1-2-23-11-6-17(21)19-13-16(20-7-9-22-10-8-20)14-4-3-5-15(18)12-14/h3-5,12,16H,2,6-11,13H2,1H3,(H,19,21)/t16-/m0/s1
InChIKeyKKZZVWHMRHZAHB-INIZCTEOSA-N
MW340.46 g/mol
LogP2.46
Rot. Bonds8

About 3-ethylsulfanyl-N-[(2R)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]propanamide

3-ethylsulfanyl-N-[(2R)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]propanamide (PubChem CID 94815665) has the molecular formula C17H25FN2O2S and a molecular weight of 340.46 g/mol. Its IUPAC name is 3-ethylsulfanyl-N-[(2R)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]propanamide.

Molecular Properties

Compound Name3-ethylsulfanyl-N-[(2R)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]propanamide
PubChem CID94815665
Molecular FormulaC17H25FN2O2S
Molecular Weight340.46 g/mol
Exact Mass340.16
IUPAC Name3-ethylsulfanyl-N-[(2R)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]propanamide
SMILESCCSCCC(=O)NC[C@@H](c1cccc(F)c1)N1CCOCC1
InChIInChI=1S/C17H25FN2O2S/c1-2-23-11-6-17(21)19-13-16(20-7-9-22-10-8-20)14-4-3-5-15(18)12-14/h3-5,12,16H,2,6-11,13H2,1H3,(H,19,21)/t16-/m0/s1
InChIKeyKKZZVWHMRHZAHB-INIZCTEOSA-N
XLogP2.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-4-(methylamino)butanamide
CID 119865964
7-amino-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]heptanamide;dihydrochloride
CID 119865953
3-(2-aminophenyl)-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]propanamide;dihydrochloride
CID 120612741
N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119865999
4-amino-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-methoxybutanamide
CID 120596042
N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 146131889
3-(2-amino-2-oxoethyl)sulfanyl-N-(2-morpholin-4-yl-2-phenylethyl)propanamide
CID 43057620
1-[(2R)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-methylprop-2-enyl)urea
CID 99702436
1-amino-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119865951
1-butan-2-yl-3-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylguanidine
CID 110943878
N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide
CID 47081662
(2S,4S)-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylpiperidine-4-carboxamide
CID 120634306

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-N-[(2R)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]propanamide?
The IUPAC name of 3-ethylsulfanyl-N-[(2R)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]propanamide (CID 94815665) is 3-ethylsulfanyl-N-[(2R)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]propanamide.
What is the SMILES notation for 3-ethylsulfanyl-N-[(2R)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]propanamide?
The canonical SMILES for 3-ethylsulfanyl-N-[(2R)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]propanamide is CCSCCC(=O)NC[C@@H](c1cccc(F)c1)N1CCOCC1.
What is the InChIKey of 3-ethylsulfanyl-N-[(2R)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]propanamide?
The InChIKey is KKZZVWHMRHZAHB-INIZCTEOSA-N. The full InChI is InChI=1S/C17H25FN2O2S/c1-2-23-11-6-17(21)19-13-16(20-7-9-22-10-8-20)14-4-3-5-15(18)12-14/h3-5,12,16H,2,6-11,13H2,1H3,(H,19,21)/t16-/m0/s1.
What are the key properties of 3-ethylsulfanyl-N-[(2R)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]propanamide?
3-ethylsulfanyl-N-[(2R)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]propanamide has a molecular weight of 340.46 g/mol, XLogP of 2.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-N-[(2R)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]propanamide is sourced from PubChem (CID 94815665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).