N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylsulfanyl)propanamide

C13H18FNO2S — CID 71926090

IUPACN-[(4-fluorophenyl)methyl]-2-(2-methoxyethylsulfanyl)propanamide
SMILESCOCCSC(C)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C13H18FNO2S/c1-10(18-8-7-17-2)13(16)15-9-11-3-5-12(14)6-4-11/h3-6,10H,7-9H2,1-2H3,(H,15,16)
InChIKeyOOTONBPQKZKEHZ-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.21
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylsulfanyl)propanamide

N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylsulfanyl)propanamide (PubChem CID 71926090) has the molecular formula C13H18FNO2S and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylsulfanyl)propanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(2-methoxyethylsulfanyl)propanamide
PubChem CID71926090
Molecular FormulaC13H18FNO2S
Molecular Weight271.36 g/mol
Exact Mass271.10
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(2-methoxyethylsulfanyl)propanamide
SMILESCOCCSC(C)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C13H18FNO2S/c1-10(18-8-7-17-2)13(16)15-9-11-3-5-12(14)6-4-11/h3-6,10H,7-9H2,1-2H3,(H,15,16)
InChIKeyOOTONBPQKZKEHZ-UHFFFAOYSA-N
XLogP2.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-[(4-fluorophenyl)methyl]-2-methylbutanamide
CID 94606450
(2S)-2-(4-chlorophenyl)sulfanyl-N-[(4-fluorophenyl)methyl]propanamide
CID 26745796
N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)sulfanylpropanamide
CID 46621783
(2R)-N-[(4-chlorophenyl)methyl]-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide
CID 8008968
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(4-fluorophenyl)methyl]propanamide
CID 46646744
2-bromo-N-[(4-fluorophenyl)methyl]-3-methylbutanamide
CID 24695966
3-[(4-fluorophenyl)methyl]-1,1-bis(2-methoxyethyl)urea
CID 44756384
(2S)-N-[(4-fluorophenyl)methyl]-2-methylsulfonylpropanamide
CID 51946192
N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)acetamide
CID 78908414
(2R)-N-[(2-chlorophenyl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]propanamide
CID 41259137
N-[(4-fluorophenyl)methyl]-2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 46646864
(2S)-N-[(4-fluorophenyl)methyl]-2-[4-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]piperazin-1-yl]propanamide
CID 30958923

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylsulfanyl)propanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylsulfanyl)propanamide (CID 71926090) is N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylsulfanyl)propanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylsulfanyl)propanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylsulfanyl)propanamide is COCCSC(C)C(=O)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylsulfanyl)propanamide?
The InChIKey is OOTONBPQKZKEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2S/c1-10(18-8-7-17-2)13(16)15-9-11-3-5-12(14)6-4-11/h3-6,10H,7-9H2,1-2H3,(H,15,16).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylsulfanyl)propanamide?
N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylsulfanyl)propanamide has a molecular weight of 271.36 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylsulfanyl)propanamide is sourced from PubChem (CID 71926090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).