N-benzyl-2-(4-fluorophenyl)sulfanylacetamide

C15H14FNOS — CID 893250

IUPACN-benzyl-2-(4-fluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(F)cc1)NCc1ccccc1
InChIInChI=1S/C15H14FNOS/c16-13-6-8-14(9-7-13)19-11-15(18)17-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,17,18)
InChIKeyVJZNIUWMDKNJGQ-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.23
Rot. Bonds5

About N-benzyl-2-(4-fluorophenyl)sulfanylacetamide

N-benzyl-2-(4-fluorophenyl)sulfanylacetamide (PubChem CID 893250) has the molecular formula C15H14FNOS and a molecular weight of 275.35 g/mol. Its IUPAC name is N-benzyl-2-(4-fluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-fluorophenyl)sulfanylacetamide
PubChem CID893250
Molecular FormulaC15H14FNOS
Molecular Weight275.35 g/mol
Exact Mass275.08
IUPAC NameN-benzyl-2-(4-fluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(F)cc1)NCc1ccccc1
InChIInChI=1S/C15H14FNOS/c16-13-6-8-14(9-7-13)19-11-15(18)17-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,17,18)
InChIKeyVJZNIUWMDKNJGQ-UHFFFAOYSA-N
XLogP3.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-[(4-methylphenyl)sulfanyl]acetamide
CID 846551
N-benzyl-2-(phenylthio)acetamide
CID 846429
2-(2-Fluorophenyl)-1,3-thiazolan-4-one
CID 2732088
N-(1-phenylethyl)-2-phenylsulfanylacetamide
CID 2889950
Propanamide, 3,3'-thiobis[N-(phenylmethyl)-
CID 562133
2-(benzylthio)-N-(4-methylbenzyl)acetamide
CID 817430
2-[(4-methylphenyl)thio]-N-(2-phenylethyl)acetamide
CID 846869
N-[(2-methylphenyl)methyl]-2-[(4-methylphenyl)thio]acetamide
CID 881507
N-[2-(4-fluorophenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide
CID 977302
N-(2-phenylethyl)-2-(phenylthio)propanamide
CID 2889783
N-(4-fluorobenzyl)-2-[(4-methylphenyl)thio]propanamide
CID 2977027
2-fluoro-N-[2-(4-methylphenyl)sulfanylethyl]benzamide
CID 2985265

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-fluorophenyl)sulfanylacetamide?
The IUPAC name of N-benzyl-2-(4-fluorophenyl)sulfanylacetamide (CID 893250) is N-benzyl-2-(4-fluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-benzyl-2-(4-fluorophenyl)sulfanylacetamide?
The canonical SMILES for N-benzyl-2-(4-fluorophenyl)sulfanylacetamide is O=C(CSc1ccc(F)cc1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(4-fluorophenyl)sulfanylacetamide?
The InChIKey is VJZNIUWMDKNJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNOS/c16-13-6-8-14(9-7-13)19-11-15(18)17-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,17,18).
What are the key properties of N-benzyl-2-(4-fluorophenyl)sulfanylacetamide?
N-benzyl-2-(4-fluorophenyl)sulfanylacetamide has a molecular weight of 275.35 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-fluorophenyl)sulfanylacetamide is sourced from PubChem (CID 893250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).