N-(3-amino-4-fluorophenyl)-2-(2-methoxyethylsulfinyl)propanamide

C12H17FN2O3S — CID 61289045

IUPACN-(3-amino-4-fluorophenyl)-2-(2-methoxyethylsulfinyl)propanamide
SMILESCOCCS(=O)C(C)C(=O)Nc1ccc(F)c(N)c1
InChIInChI=1S/C12H17FN2O3S/c1-8(19(17)6-5-18-2)12(16)15-9-3-4-10(13)11(14)7-9/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,16)
InChIKeyQTQKYAYBFVQPJL-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.13
Rot. Bonds6

About N-(3-amino-4-fluorophenyl)-2-(2-methoxyethylsulfinyl)propanamide

N-(3-amino-4-fluorophenyl)-2-(2-methoxyethylsulfinyl)propanamide (PubChem CID 61289045) has the molecular formula C12H17FN2O3S and a molecular weight of 288.34 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-2-(2-methoxyethylsulfinyl)propanamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-2-(2-methoxyethylsulfinyl)propanamide
PubChem CID61289045
Molecular FormulaC12H17FN2O3S
Molecular Weight288.34 g/mol
Exact Mass288.09
IUPAC NameN-(3-amino-4-fluorophenyl)-2-(2-methoxyethylsulfinyl)propanamide
SMILESCOCCS(=O)C(C)C(=O)Nc1ccc(F)c(N)c1
InChIInChI=1S/C12H17FN2O3S/c1-8(19(17)6-5-18-2)12(16)15-9-3-4-10(13)11(14)7-9/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,16)
InChIKeyQTQKYAYBFVQPJL-UHFFFAOYSA-N
XLogP1.13
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-fluorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]propanamide
CID 104560272
N-(3-amino-4-fluorophenyl)-2-methoxypropanamide
CID 16793944
N-(3-amino-4-fluorophenyl)-2-methylbutanamide
CID 16795322
N-(3-amino-4-fluorophenyl)-3-[2-(2-methoxyethoxy)ethoxy]propanamide
CID 104560204
N-(3-amino-4-fluorophenyl)-2-(2-methoxyethylsulfonyl)acetamide
CID 43446249
butyl N-(3-amino-4-fluorophenyl)carbamate
CID 150760184
N-(3-amino-4-fluorophenyl)-2-butan-2-ylsulfanylpropanamide
CID 43188452
N-(3-amino-4-fluorophenyl)-3-[1-methoxypropan-2-yl(methyl)amino]propanamide
CID 61450388
ethyl N-(3-amino-4-fluorophenyl)carbamate
CID 22005857
N-(3-amino-4-fluorophenyl)-3-butan-2-yloxypropanamide
CID 54943572
N-(3-amino-4-fluorophenyl)-3-(2-methylbutylsulfinyl)propanamide
CID 107753784
(3-amino-4-fluorophenyl)urea
CID 16776521

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-2-(2-methoxyethylsulfinyl)propanamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-2-(2-methoxyethylsulfinyl)propanamide (CID 61289045) is N-(3-amino-4-fluorophenyl)-2-(2-methoxyethylsulfinyl)propanamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-2-(2-methoxyethylsulfinyl)propanamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-2-(2-methoxyethylsulfinyl)propanamide is COCCS(=O)C(C)C(=O)Nc1ccc(F)c(N)c1.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-2-(2-methoxyethylsulfinyl)propanamide?
The InChIKey is QTQKYAYBFVQPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3S/c1-8(19(17)6-5-18-2)12(16)15-9-3-4-10(13)11(14)7-9/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,16).
What are the key properties of N-(3-amino-4-fluorophenyl)-2-(2-methoxyethylsulfinyl)propanamide?
N-(3-amino-4-fluorophenyl)-2-(2-methoxyethylsulfinyl)propanamide has a molecular weight of 288.34 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-fluorophenyl)-2-(2-methoxyethylsulfinyl)propanamide is sourced from PubChem (CID 61289045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).