2-[1-(2-fluorophenyl)ethylsulfanyl]-N-(4-morpholin-4-ylphenyl)propanamide

C21H25FN2O2S — CID 49154044

IUPAC2-[1-(2-fluorophenyl)ethylsulfanyl]-N-(4-morpholin-4-ylphenyl)propanamide
SMILESCC(SC(C)c1ccccc1F)C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C21H25FN2O2S/c1-15(19-5-3-4-6-20(19)22)27-16(2)21(25)23-17-7-9-18(10-8-17)24-11-13-26-14-12-24/h3-10,15-16H,11-14H2,1-2H3,(H,23,25)
InChIKeyYOIKWYGXXJOJJP-UHFFFAOYSA-N
MW388.51 g/mol
LogP4.48
Rot. Bonds6

About 2-[1-(2-fluorophenyl)ethylsulfanyl]-N-(4-morpholin-4-ylphenyl)propanamide

2-[1-(2-fluorophenyl)ethylsulfanyl]-N-(4-morpholin-4-ylphenyl)propanamide (PubChem CID 49154044) has the molecular formula C21H25FN2O2S and a molecular weight of 388.51 g/mol. Its IUPAC name is 2-[1-(2-fluorophenyl)ethylsulfanyl]-N-(4-morpholin-4-ylphenyl)propanamide.

Molecular Properties

Compound Name2-[1-(2-fluorophenyl)ethylsulfanyl]-N-(4-morpholin-4-ylphenyl)propanamide
PubChem CID49154044
Molecular FormulaC21H25FN2O2S
Molecular Weight388.51 g/mol
Exact Mass388.16
IUPAC Name2-[1-(2-fluorophenyl)ethylsulfanyl]-N-(4-morpholin-4-ylphenyl)propanamide
SMILESCC(SC(C)c1ccccc1F)C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C21H25FN2O2S/c1-15(19-5-3-4-6-20(19)22)27-16(2)21(25)23-17-7-9-18(10-8-17)24-11-13-26-14-12-24/h3-10,15-16H,11-14H2,1-2H3,(H,23,25)
InChIKeyYOIKWYGXXJOJJP-UHFFFAOYSA-N
XLogP4.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-(4-morpholin-4-ylphenyl)-2-phenylsulfanylpropanamide
CID 2079704
(2S)-2-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-morpholin-4-ylphenyl)propanamide
CID 41001194
2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-morpholin-4-ylphenyl)propanamide
CID 3260769
2-amino-N-(4-morpholin-4-ylphenyl)propanamide
CID 60638930
2-fluoro-N-(4-morpholin-4-ylphenyl)benzamide
CID 781635
2-[1-(2-chlorophenyl)ethylamino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 51168773
(2S)-2-(2,5-dichlorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)propanamide
CID 7870535
(2S)-N-(4-morpholin-4-ylphenyl)-2-(4-phenylanilino)propanamide
CID 7509574
(2R)-N-(4-morpholin-4-ylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide
CID 2474766
3-hydroxypropyl-[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]azanium
CID 7998281
(2R)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide
CID 8725307
[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] N,N-diethylcarbamodithioate
CID 7753295

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluorophenyl)ethylsulfanyl]-N-(4-morpholin-4-ylphenyl)propanamide?
The IUPAC name of 2-[1-(2-fluorophenyl)ethylsulfanyl]-N-(4-morpholin-4-ylphenyl)propanamide (CID 49154044) is 2-[1-(2-fluorophenyl)ethylsulfanyl]-N-(4-morpholin-4-ylphenyl)propanamide.
What is the SMILES notation for 2-[1-(2-fluorophenyl)ethylsulfanyl]-N-(4-morpholin-4-ylphenyl)propanamide?
The canonical SMILES for 2-[1-(2-fluorophenyl)ethylsulfanyl]-N-(4-morpholin-4-ylphenyl)propanamide is CC(SC(C)c1ccccc1F)C(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-[1-(2-fluorophenyl)ethylsulfanyl]-N-(4-morpholin-4-ylphenyl)propanamide?
The InChIKey is YOIKWYGXXJOJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O2S/c1-15(19-5-3-4-6-20(19)22)27-16(2)21(25)23-17-7-9-18(10-8-17)24-11-13-26-14-12-24/h3-10,15-16H,11-14H2,1-2H3,(H,23,25).
What are the key properties of 2-[1-(2-fluorophenyl)ethylsulfanyl]-N-(4-morpholin-4-ylphenyl)propanamide?
2-[1-(2-fluorophenyl)ethylsulfanyl]-N-(4-morpholin-4-ylphenyl)propanamide has a molecular weight of 388.51 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluorophenyl)ethylsulfanyl]-N-(4-morpholin-4-ylphenyl)propanamide is sourced from PubChem (CID 49154044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).