2-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]sulfanylacetamide

C12H15FN2O2S — CID 47030874

IUPAC2-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]sulfanylacetamide
SMILESCC(NC(=O)CSCC(N)=O)c1ccc(F)cc1
InChIInChI=1S/C12H15FN2O2S/c1-8(9-2-4-10(13)5-3-9)15-12(17)7-18-6-11(14)16/h2-5,8H,6-7H2,1H3,(H2,14,16)(H,15,17)
InChIKeyHVHJQIJHEIVVGW-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.22
Rot. Bonds6

About 2-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]sulfanylacetamide

2-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]sulfanylacetamide (PubChem CID 47030874) has the molecular formula C12H15FN2O2S and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]sulfanylacetamide
PubChem CID47030874
Molecular FormulaC12H15FN2O2S
Molecular Weight270.33 g/mol
Exact Mass270.08
IUPAC Name2-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]sulfanylacetamide
SMILESCC(NC(=O)CSCC(N)=O)c1ccc(F)cc1
InChIInChI=1S/C12H15FN2O2S/c1-8(9-2-4-10(13)5-3-9)15-12(17)7-18-6-11(14)16/h2-5,8H,6-7H2,1H3,(H2,14,16)(H,15,17)
InChIKeyHVHJQIJHEIVVGW-UHFFFAOYSA-N
XLogP1.22
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-aminobutylsulfanyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 66229426
2-[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]sulfanylacetamide
CID 94081336
2-[2-oxo-2-[1-(4-phenoxyphenyl)ethylamino]ethyl]sulfanylacetamide
CID 56822670
N-[1-(4-fluorophenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide
CID 132650849
2-(4-aminophenyl)sulfanyl-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43299114
2-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]sulfanyl-2-methylpropanoic acid
CID 81228466
2-[(4-bromophenyl)methylsulfanyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 28634214
2-[2-[[(1R)-1-[4-(3-methylbutoxy)phenyl]ethyl]amino]-2-oxoethyl]sulfanylacetamide
CID 95596907
3-amino-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 61247716
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 78765448
N-[1-(4-fluorophenyl)ethyl]-2-(3-phenylpropylsulfanyl)acetamide
CID 47005981
2-[(2-chlorophenyl)methylsulfanyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 28956969

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]sulfanylacetamide?
The IUPAC name of 2-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]sulfanylacetamide (CID 47030874) is 2-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for 2-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for 2-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]sulfanylacetamide is CC(NC(=O)CSCC(N)=O)c1ccc(F)cc1.
What is the InChIKey of 2-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]sulfanylacetamide?
The InChIKey is HVHJQIJHEIVVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2S/c1-8(9-2-4-10(13)5-3-9)15-12(17)7-18-6-11(14)16/h2-5,8H,6-7H2,1H3,(H2,14,16)(H,15,17).
What are the key properties of 2-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]sulfanylacetamide?
2-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]sulfanylacetamide has a molecular weight of 270.33 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 47030874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).