N-(5-amino-2-fluorophenyl)-3-(2-methyloxolan-3-yl)sulfanylpropanamide

C14H19FN2O2S — CID 107748281

IUPACN-(5-amino-2-fluorophenyl)-3-(2-methyloxolan-3-yl)sulfanylpropanamide
SMILESCC1OCCC1SCCC(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C14H19FN2O2S/c1-9-13(4-6-19-9)20-7-5-14(18)17-12-8-10(16)2-3-11(12)15/h2-3,8-9,13H,4-7,16H2,1H3,(H,17,18)
InChIKeyGEZSGPPHNDCMEF-UHFFFAOYSA-N
MW298.38 g/mol
LogP2.65
Rot. Bonds5

About N-(5-amino-2-fluorophenyl)-3-(2-methyloxolan-3-yl)sulfanylpropanamide

N-(5-amino-2-fluorophenyl)-3-(2-methyloxolan-3-yl)sulfanylpropanamide (PubChem CID 107748281) has the molecular formula C14H19FN2O2S and a molecular weight of 298.38 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-3-(2-methyloxolan-3-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-3-(2-methyloxolan-3-yl)sulfanylpropanamide
PubChem CID107748281
Molecular FormulaC14H19FN2O2S
Molecular Weight298.38 g/mol
Exact Mass298.12
IUPAC NameN-(5-amino-2-fluorophenyl)-3-(2-methyloxolan-3-yl)sulfanylpropanamide
SMILESCC1OCCC1SCCC(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C14H19FN2O2S/c1-9-13(4-6-19-9)20-7-5-14(18)17-12-8-10(16)2-3-11(12)15/h2-3,8-9,13H,4-7,16H2,1H3,(H,17,18)
InChIKeyGEZSGPPHNDCMEF-UHFFFAOYSA-N
XLogP2.65
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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

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N-(2-fluorophenyl)-2-[(2R,3R)-2-methyloxolan-3-yl]sulfanylacetamide
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N-(5-amino-2-fluorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
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N-(5-amino-2-fluorophenyl)-3-(2,4-dimethylpiperidin-1-yl)propanamide
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CID 62124048
N-(5-amino-2-fluorophenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-3-(2-methyloxolan-3-yl)sulfanylpropanamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-3-(2-methyloxolan-3-yl)sulfanylpropanamide (CID 107748281) is N-(5-amino-2-fluorophenyl)-3-(2-methyloxolan-3-yl)sulfanylpropanamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-3-(2-methyloxolan-3-yl)sulfanylpropanamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-3-(2-methyloxolan-3-yl)sulfanylpropanamide is CC1OCCC1SCCC(=O)Nc1cc(N)ccc1F.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-3-(2-methyloxolan-3-yl)sulfanylpropanamide?
The InChIKey is GEZSGPPHNDCMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2S/c1-9-13(4-6-19-9)20-7-5-14(18)17-12-8-10(16)2-3-11(12)15/h2-3,8-9,13H,4-7,16H2,1H3,(H,17,18).
What are the key properties of N-(5-amino-2-fluorophenyl)-3-(2-methyloxolan-3-yl)sulfanylpropanamide?
N-(5-amino-2-fluorophenyl)-3-(2-methyloxolan-3-yl)sulfanylpropanamide has a molecular weight of 298.38 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-3-(2-methyloxolan-3-yl)sulfanylpropanamide is sourced from PubChem (CID 107748281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).