2-(2-amino-4-fluorophenyl)sulfanyl-N-(2-methoxyethyl)acetamide

C11H15FN2O2S — CID 43304176

IUPAC2-(2-amino-4-fluorophenyl)sulfanyl-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CSc1ccc(F)cc1N
InChIInChI=1S/C11H15FN2O2S/c1-16-5-4-14-11(15)7-17-10-3-2-8(12)6-9(10)13/h2-3,6H,4-5,7,13H2,1H3,(H,14,15)
InChIKeyDYKFSTKELRDLFU-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.26
Rot. Bonds6

About 2-(2-amino-4-fluorophenyl)sulfanyl-N-(2-methoxyethyl)acetamide

2-(2-amino-4-fluorophenyl)sulfanyl-N-(2-methoxyethyl)acetamide (PubChem CID 43304176) has the molecular formula C11H15FN2O2S and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(2-amino-4-fluorophenyl)sulfanyl-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-4-fluorophenyl)sulfanyl-N-(2-methoxyethyl)acetamide
PubChem CID43304176
Molecular FormulaC11H15FN2O2S
Molecular Weight258.32 g/mol
Exact Mass258.08
IUPAC Name2-(2-amino-4-fluorophenyl)sulfanyl-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CSc1ccc(F)cc1N
InChIInChI=1S/C11H15FN2O2S/c1-16-5-4-14-11(15)7-17-10-3-2-8(12)6-9(10)13/h2-3,6H,4-5,7,13H2,1H3,(H,14,15)
InChIKeyDYKFSTKELRDLFU-UHFFFAOYSA-N
XLogP1.26
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(2-amino-4-fluorophenyl)sulfanyl-N-(2-methoxyethyl)acetamide 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-amino-5-methylphenyl)sulfanyl-N-(2-methoxyethyl)acetamide
CID 79142889
methyl N-[2-(2-amino-4-fluorophenyl)sulfanylacetyl]carbamate
CID 43304109
ethyl 4-[[2-(2-amino-4-fluorophenyl)sulfanylacetyl]amino]butanoate
CID 43303930
2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2-methoxyethyl)acetamide
CID 43299918
2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-N-(2-methoxyethyl)acetamide
CID 35608176
2-(2-amino-4-fluorophenyl)sulfinyl-N-(2-methoxyethyl)acetamide
CID 81185383
2-(2-chlorophenyl)sulfanyl-N-(2-methoxyethyl)acetamide
CID 112778862
2-(2-amino-4-fluorophenyl)sulfanyl-N-(4-methylphenyl)acetamide
CID 43304409
5-fluoro-2-(3-methoxypropylsulfanyl)aniline
CID 60926666
2-(2-amino-4-fluorophenyl)sulfanyl-N-(1-phenylethyl)acetamide
CID 43304215
N-[2-(2-amino-4-fluorophenyl)sulfanylacetyl]-1-methylpyrrole-2-carboxamide
CID 43304252
[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzoate
CID 7605624

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-fluorophenyl)sulfanyl-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(2-amino-4-fluorophenyl)sulfanyl-N-(2-methoxyethyl)acetamide (CID 43304176) is 2-(2-amino-4-fluorophenyl)sulfanyl-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(2-amino-4-fluorophenyl)sulfanyl-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(2-amino-4-fluorophenyl)sulfanyl-N-(2-methoxyethyl)acetamide is COCCNC(=O)CSc1ccc(F)cc1N.
What is the InChIKey of 2-(2-amino-4-fluorophenyl)sulfanyl-N-(2-methoxyethyl)acetamide?
The InChIKey is DYKFSTKELRDLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2S/c1-16-5-4-14-11(15)7-17-10-3-2-8(12)6-9(10)13/h2-3,6H,4-5,7,13H2,1H3,(H,14,15).
What are the key properties of 2-(2-amino-4-fluorophenyl)sulfanyl-N-(2-methoxyethyl)acetamide?
2-(2-amino-4-fluorophenyl)sulfanyl-N-(2-methoxyethyl)acetamide has a molecular weight of 258.32 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-fluorophenyl)sulfanyl-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 43304176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).