N-(2-amino-2-oxoethoxy)-3-(2-fluorophenyl)sulfanylpropanamide

C11H13FN2O3S — CID 112550573

IUPACN-(2-amino-2-oxoethoxy)-3-(2-fluorophenyl)sulfanylpropanamide
SMILESNC(=O)CONC(=O)CCSc1ccccc1F
InChIInChI=1S/C11H13FN2O3S/c12-8-3-1-2-4-9(8)18-6-5-11(16)14-17-7-10(13)15/h1-4H,5-7H2,(H2,13,15)(H,14,16)
InChIKeyPXHSKCKLTCTHLA-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.84
Rot. Bonds7

About N-(2-amino-2-oxoethoxy)-3-(2-fluorophenyl)sulfanylpropanamide

N-(2-amino-2-oxoethoxy)-3-(2-fluorophenyl)sulfanylpropanamide (PubChem CID 112550573) has the molecular formula C11H13FN2O3S and a molecular weight of 272.30 g/mol. Its IUPAC name is N-(2-amino-2-oxoethoxy)-3-(2-fluorophenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethoxy)-3-(2-fluorophenyl)sulfanylpropanamide
PubChem CID112550573
Molecular FormulaC11H13FN2O3S
Molecular Weight272.30 g/mol
Exact Mass272.06
IUPAC NameN-(2-amino-2-oxoethoxy)-3-(2-fluorophenyl)sulfanylpropanamide
SMILESNC(=O)CONC(=O)CCSc1ccccc1F
InChIInChI=1S/C11H13FN2O3S/c12-8-3-1-2-4-9(8)18-6-5-11(16)14-17-7-10(13)15/h1-4H,5-7H2,(H2,13,15)(H,14,16)
InChIKeyPXHSKCKLTCTHLA-UHFFFAOYSA-N
XLogP0.84
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[3-(2-fluorophenyl)sulfanylpropanoylamino]oxyacetic acid
CID 63930983
3-(2-fluorophenyl)sulfanylpropanehydrazide
CID 43236853
4-[3-(2-fluorophenyl)sulfanylpropanoylamino]benzamide
CID 26465908
methyl 2-[3-(2-fluorophenyl)sulfanylpropanoylamino]-3-methylbutanoate
CID 43408320
3-(2-fluorophenyl)sulfanyl-N-[(2R)-2-hydroxypropyl]propanamide
CID 83032259
2-[[2-[3-(2-fluorophenyl)sulfanylpropanoylamino]acetyl]amino]acetic acid
CID 43465386
3-(2-fluorophenyl)sulfanyl-N-(3-hydroxypropyl)propanamide
CID 43417674
3-(2-fluorophenyl)sulfanyl-N-[2-(methylamino)ethyl]propanamide
CID 119502265
(2S)-2-[3-(2-fluorophenyl)sulfanylpropanoylamino]-3-hydroxypropanoic acid
CID 61152189
2-[3-(2-fluorophenyl)sulfanylpropanoylamino]butanoic acid
CID 43469420
3-(2-fluorophenyl)sulfanyl-N-[(2S)-1-hydroxybutan-2-yl]propanamide
CID 93041484
3-(2-fluorophenyl)sulfanyl-N'-hydroxypropanimidamide
CID 43187694

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethoxy)-3-(2-fluorophenyl)sulfanylpropanamide?
The IUPAC name of N-(2-amino-2-oxoethoxy)-3-(2-fluorophenyl)sulfanylpropanamide (CID 112550573) is N-(2-amino-2-oxoethoxy)-3-(2-fluorophenyl)sulfanylpropanamide.
What is the SMILES notation for N-(2-amino-2-oxoethoxy)-3-(2-fluorophenyl)sulfanylpropanamide?
The canonical SMILES for N-(2-amino-2-oxoethoxy)-3-(2-fluorophenyl)sulfanylpropanamide is NC(=O)CONC(=O)CCSc1ccccc1F.
What is the InChIKey of N-(2-amino-2-oxoethoxy)-3-(2-fluorophenyl)sulfanylpropanamide?
The InChIKey is PXHSKCKLTCTHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O3S/c12-8-3-1-2-4-9(8)18-6-5-11(16)14-17-7-10(13)15/h1-4H,5-7H2,(H2,13,15)(H,14,16).
What are the key properties of N-(2-amino-2-oxoethoxy)-3-(2-fluorophenyl)sulfanylpropanamide?
N-(2-amino-2-oxoethoxy)-3-(2-fluorophenyl)sulfanylpropanamide has a molecular weight of 272.30 g/mol, XLogP of 0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethoxy)-3-(2-fluorophenyl)sulfanylpropanamide is sourced from PubChem (CID 112550573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).