N-(4-amino-3-fluorophenyl)sulfanyl-2-naphthalen-2-yloxyacetamide

C18H15FN2O2S — CID 156858950

IUPACN-(4-amino-3-fluorophenyl)sulfanyl-2-naphthalen-2-yloxyacetamide
SMILESNc1ccc(SNC(=O)COc2ccc3ccccc3c2)cc1F
InChIInChI=1S/C18H15FN2O2S/c19-16-10-15(7-8-17(16)20)24-21-18(22)11-23-14-6-5-12-3-1-2-4-13(12)9-14/h1-10H,11,20H2,(H,21,22)
InChIKeyPJTRJJMOWYOUMI-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.76
Rot. Bonds5

About N-(4-amino-3-fluorophenyl)sulfanyl-2-naphthalen-2-yloxyacetamide

N-(4-amino-3-fluorophenyl)sulfanyl-2-naphthalen-2-yloxyacetamide (PubChem CID 156858950) has the molecular formula C18H15FN2O2S and a molecular weight of 342.40 g/mol. Its IUPAC name is N-(4-amino-3-fluorophenyl)sulfanyl-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-(4-amino-3-fluorophenyl)sulfanyl-2-naphthalen-2-yloxyacetamide
PubChem CID156858950
Molecular FormulaC18H15FN2O2S
Molecular Weight342.40 g/mol
Exact Mass342.08
IUPAC NameN-(4-amino-3-fluorophenyl)sulfanyl-2-naphthalen-2-yloxyacetamide
SMILESNc1ccc(SNC(=O)COc2ccc3ccccc3c2)cc1F
InChIInChI=1S/C18H15FN2O2S/c19-16-10-15(7-8-17(16)20)24-21-18(22)11-23-14-6-5-12-3-1-2-4-13(12)9-14/h1-10H,11,20H2,(H,21,22)
InChIKeyPJTRJJMOWYOUMI-UHFFFAOYSA-N
XLogP3.76
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-naphthalen-2-yloxy-N-(3-nitrophenyl)sulfanylacetamide
CID 156858977
N-(2-aminophenyl)-2-naphthalen-2-yloxyacetamide
CID 16792527
N-(2-methylsulfanylphenyl)-2-naphthalen-2-yloxyacetamide
CID 4805358
N'-(2-naphthalen-2-yloxyacetyl)-2-(4-phenylphenoxy)acetohydrazide
CID 4512962
N-naphthalen-2-yl-2-naphthalen-2-yloxyacetamide
CID 879369
N-(2,5-difluorophenyl)-2-naphthalen-2-yloxyacetamide
CID 7958914
2-methoxy-N'-(2-naphthalen-2-yloxyacetyl)acetohydrazide
CID 3108616
2-naphthalen-2-yloxy-N'-(2-naphthalen-1-yloxyacetyl)acetohydrazide
CID 4228152
2-naphthalen-2-yloxy-N-pentan-3-ylacetamide
CID 24951700
N-(3-aminophenyl)-2-naphthalen-2-yloxyacetamide
CID 16788601
N-naphthalen-2-ylsulfanyl-4-oxopentanamide
CID 177187621
N-[4-(carbamoylamino)phenyl]-2-naphthalen-2-yloxyacetamide
CID 33152788

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-fluorophenyl)sulfanyl-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-(4-amino-3-fluorophenyl)sulfanyl-2-naphthalen-2-yloxyacetamide (CID 156858950) is N-(4-amino-3-fluorophenyl)sulfanyl-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-(4-amino-3-fluorophenyl)sulfanyl-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-(4-amino-3-fluorophenyl)sulfanyl-2-naphthalen-2-yloxyacetamide is Nc1ccc(SNC(=O)COc2ccc3ccccc3c2)cc1F.
What is the InChIKey of N-(4-amino-3-fluorophenyl)sulfanyl-2-naphthalen-2-yloxyacetamide?
The InChIKey is PJTRJJMOWYOUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2S/c19-16-10-15(7-8-17(16)20)24-21-18(22)11-23-14-6-5-12-3-1-2-4-13(12)9-14/h1-10H,11,20H2,(H,21,22).
What are the key properties of N-(4-amino-3-fluorophenyl)sulfanyl-2-naphthalen-2-yloxyacetamide?
N-(4-amino-3-fluorophenyl)sulfanyl-2-naphthalen-2-yloxyacetamide has a molecular weight of 342.40 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-fluorophenyl)sulfanyl-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 156858950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).