N-(3-amino-4-fluorophenyl)-2-(2-methyloxolan-3-yl)sulfanylpropanamide

C14H19FN2O2S — CID 107748313

IUPACN-(3-amino-4-fluorophenyl)-2-(2-methyloxolan-3-yl)sulfanylpropanamide
SMILESCC(SC1CCOC1C)C(=O)Nc1ccc(F)c(N)c1
InChIInChI=1S/C14H19FN2O2S/c1-8-13(5-6-19-8)20-9(2)14(18)17-10-3-4-11(15)12(16)7-10/h3-4,7-9,13H,5-6,16H2,1-2H3,(H,17,18)
InChIKeyYHOARBGWHSLBSY-UHFFFAOYSA-N
MW298.38 g/mol
LogP2.65
Rot. Bonds4

About N-(3-amino-4-fluorophenyl)-2-(2-methyloxolan-3-yl)sulfanylpropanamide

N-(3-amino-4-fluorophenyl)-2-(2-methyloxolan-3-yl)sulfanylpropanamide (PubChem CID 107748313) has the molecular formula C14H19FN2O2S and a molecular weight of 298.38 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-2-(2-methyloxolan-3-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-2-(2-methyloxolan-3-yl)sulfanylpropanamide
PubChem CID107748313
Molecular FormulaC14H19FN2O2S
Molecular Weight298.38 g/mol
Exact Mass298.12
IUPAC NameN-(3-amino-4-fluorophenyl)-2-(2-methyloxolan-3-yl)sulfanylpropanamide
SMILESCC(SC1CCOC1C)C(=O)Nc1ccc(F)c(N)c1
InChIInChI=1S/C14H19FN2O2S/c1-8-13(5-6-19-8)20-9(2)14(18)17-10-3-4-11(15)12(16)7-10/h3-4,7-9,13H,5-6,16H2,1-2H3,(H,17,18)
InChIKeyYHOARBGWHSLBSY-UHFFFAOYSA-N
XLogP2.65
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.65
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-aminophenyl)-2-(2-methyloxolan-3-yl)sulfanylpropanamide
CID 107748329
N-(3-amino-4-fluorophenyl)-2-butan-2-ylsulfanylpropanamide
CID 43188452
N-(3-amino-4-fluorophenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 43093514
N-(3-amino-4-fluorophenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanamide
CID 104957908
N-(3-amino-4-fluorophenyl)-2-methoxypropanamide
CID 16793944
N-(3-amino-4-fluorophenyl)-2-methylbutanamide
CID 16795322
N-(3-amino-4-fluorophenyl)-2-(3-methylpyrrolidin-1-yl)propanamide
CID 61223805
N-(3-amino-4-chlorophenyl)-2-(2-methyloxolan-3-yl)sulfanylacetamide
CID 107748298
N-(3-amino-4-fluorophenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide
CID 102956094
N-(3-amino-4-fluorophenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 43187475
N-(3-amino-4-chlorophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]propanamide
CID 82733743
3-methyl-2-(2-methyloxolan-3-yl)sulfanylbutanehydrazide
CID 107760901

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-2-(2-methyloxolan-3-yl)sulfanylpropanamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-2-(2-methyloxolan-3-yl)sulfanylpropanamide (CID 107748313) is N-(3-amino-4-fluorophenyl)-2-(2-methyloxolan-3-yl)sulfanylpropanamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-2-(2-methyloxolan-3-yl)sulfanylpropanamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-2-(2-methyloxolan-3-yl)sulfanylpropanamide is CC(SC1CCOC1C)C(=O)Nc1ccc(F)c(N)c1.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-2-(2-methyloxolan-3-yl)sulfanylpropanamide?
The InChIKey is YHOARBGWHSLBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2S/c1-8-13(5-6-19-8)20-9(2)14(18)17-10-3-4-11(15)12(16)7-10/h3-4,7-9,13H,5-6,16H2,1-2H3,(H,17,18).
What are the key properties of N-(3-amino-4-fluorophenyl)-2-(2-methyloxolan-3-yl)sulfanylpropanamide?
N-(3-amino-4-fluorophenyl)-2-(2-methyloxolan-3-yl)sulfanylpropanamide has a molecular weight of 298.38 g/mol, XLogP of 2.65, 4 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-methyloxolan-3-yl)sulfanylpropanamide is sourced from PubChem (CID 107748313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).