N-cyclopropyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetamide

C13H15FN2O2S — CID 9165511

IUPACN-cyclopropyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetamide
SMILESO=C(CSCC(=O)NC1CC1)Nc1ccc(F)cc1
InChIInChI=1S/C13H15FN2O2S/c14-9-1-3-10(4-2-9)15-12(17)7-19-8-13(18)16-11-5-6-11/h1-4,11H,5-8H2,(H,15,17)(H,16,18)
InChIKeyLTPYHIMTDXPQEQ-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.78
Rot. Bonds6

About N-cyclopropyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetamide

N-cyclopropyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetamide (PubChem CID 9165511) has the molecular formula C13H15FN2O2S and a molecular weight of 282.34 g/mol. Its IUPAC name is N-cyclopropyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetamide
PubChem CID9165511
Molecular FormulaC13H15FN2O2S
Molecular Weight282.34 g/mol
Exact Mass282.08
IUPAC NameN-cyclopropyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetamide
SMILESO=C(CSCC(=O)NC1CC1)Nc1ccc(F)cc1
InChIInChI=1S/C13H15FN2O2S/c14-9-1-3-10(4-2-9)15-12(17)7-19-8-13(18)16-11-5-6-11/h1-4,11H,5-8H2,(H,15,17)(H,16,18)
InChIKeyLTPYHIMTDXPQEQ-UHFFFAOYSA-N
XLogP1.78
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonylacetamide
CID 39083672
N-cyclopentyl-4-[[2-(4-fluoroanilino)-2-oxoethyl]sulfanylmethyl]benzamide
CID 39083981
1-cyclopropyl-3-(4-fluorophenyl)urea
CID 840492
N-(4-aminocyclohexyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide;hydrochloride
CID 119478124
2-cyclohexylsulfanyl-N-(4-fluorophenyl)acetamide
CID 734043
N-(4-fluorophenyl)-2-(2-oxo-2-piperazin-1-ylethyl)sulfanylacetamide
CID 39161773
2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide
CID 51147705
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 51219865
N-cyclopropyl-4-[[2-(2-fluorophenyl)sulfanylacetyl]amino]benzamide
CID 46584778
2-(cyclopropylamino)-N-(4-fluorophenyl)-2-sulfanylideneacetamide
CID 10130948
1-N-cyclopropyl-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109043370
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetate
CID 7813293

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetamide?
The IUPAC name of N-cyclopropyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetamide (CID 9165511) is N-cyclopropyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for N-cyclopropyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for N-cyclopropyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetamide is O=C(CSCC(=O)NC1CC1)Nc1ccc(F)cc1.
What is the InChIKey of N-cyclopropyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetamide?
The InChIKey is LTPYHIMTDXPQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2S/c14-9-1-3-10(4-2-9)15-12(17)7-19-8-13(18)16-11-5-6-11/h1-4,11H,5-8H2,(H,15,17)(H,16,18).
What are the key properties of N-cyclopropyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetamide?
N-cyclopropyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetamide has a molecular weight of 282.34 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 9165511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).