2-[2-[2-(2-fluorophenoxy)ethylamino]phenyl]sulfanylacetamide

C16H17FN2O2S — CID 51248663

IUPAC2-[2-[2-(2-fluorophenoxy)ethylamino]phenyl]sulfanylacetamide
SMILESNC(=O)CSc1ccccc1NCCOc1ccccc1F
InChIInChI=1S/C16H17FN2O2S/c17-12-5-1-3-7-14(12)21-10-9-19-13-6-2-4-8-15(13)22-11-16(18)20/h1-8,19H,9-11H2,(H2,18,20)
InChIKeySYYWJMVJCRBDIO-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.89
Rot. Bonds8

About 2-[2-[2-(2-fluorophenoxy)ethylamino]phenyl]sulfanylacetamide

2-[2-[2-(2-fluorophenoxy)ethylamino]phenyl]sulfanylacetamide (PubChem CID 51248663) has the molecular formula C16H17FN2O2S and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-[2-[2-(2-fluorophenoxy)ethylamino]phenyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-[2-(2-fluorophenoxy)ethylamino]phenyl]sulfanylacetamide
PubChem CID51248663
Molecular FormulaC16H17FN2O2S
Molecular Weight320.39 g/mol
Exact Mass320.10
IUPAC Name2-[2-[2-(2-fluorophenoxy)ethylamino]phenyl]sulfanylacetamide
SMILESNC(=O)CSc1ccccc1NCCOc1ccccc1F
InChIInChI=1S/C16H17FN2O2S/c17-12-5-1-3-7-14(12)21-10-9-19-13-6-2-4-8-15(13)22-11-16(18)20/h1-8,19H,9-11H2,(H2,18,20)
InChIKeySYYWJMVJCRBDIO-UHFFFAOYSA-N
XLogP2.89
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-[2-(2-fluorophenoxy)ethylamino]phenyl]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-[2-(2-bromo-4-chlorophenoxy)ethylamino]phenyl]sulfanylacetamide
CID 17469304
2-[2-(propylamino)phenyl]sulfanylacetamide
CID 43722615
2-[2-(cyclopropylmethylamino)phenyl]sulfanylacetamide
CID 43722610
2-[2-[(5-chloro-2-fluorophenyl)methylamino]phenyl]sulfanylacetamide
CID 115762712
(2R)-2-amino-N-[2-(2-fluorophenoxy)ethyl]propanamide;hydrochloride
CID 119266845
(2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]butanediamide
CID 110482734
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-(2-fluorophenyl)propanamide
CID 78810399
N-[2-(2-fluorophenoxy)ethyl]-2-methylpropanamide
CID 110478459
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-(2,5-dimethylphenoxy)propanamide
CID 78810123
2-[2-[(4-fluorophenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 9068049
2-chloro-4-[2-(2-fluorophenoxy)ethylamino]benzamide
CID 47027239
2-(2-fluorophenoxy)ethylhydrazine
CID 82125131

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-fluorophenoxy)ethylamino]phenyl]sulfanylacetamide?
The IUPAC name of 2-[2-[2-(2-fluorophenoxy)ethylamino]phenyl]sulfanylacetamide (CID 51248663) is 2-[2-[2-(2-fluorophenoxy)ethylamino]phenyl]sulfanylacetamide.
What is the SMILES notation for 2-[2-[2-(2-fluorophenoxy)ethylamino]phenyl]sulfanylacetamide?
The canonical SMILES for 2-[2-[2-(2-fluorophenoxy)ethylamino]phenyl]sulfanylacetamide is NC(=O)CSc1ccccc1NCCOc1ccccc1F.
What is the InChIKey of 2-[2-[2-(2-fluorophenoxy)ethylamino]phenyl]sulfanylacetamide?
The InChIKey is SYYWJMVJCRBDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2S/c17-12-5-1-3-7-14(12)21-10-9-19-13-6-2-4-8-15(13)22-11-16(18)20/h1-8,19H,9-11H2,(H2,18,20).
What are the key properties of 2-[2-[2-(2-fluorophenoxy)ethylamino]phenyl]sulfanylacetamide?
2-[2-[2-(2-fluorophenoxy)ethylamino]phenyl]sulfanylacetamide has a molecular weight of 320.39 g/mol, XLogP of 2.89, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-fluorophenoxy)ethylamino]phenyl]sulfanylacetamide is sourced from PubChem (CID 51248663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).