N-(4-fluorophenyl)-2-phenylsulfanylacetamide

C14H12FNOS — CID 532041

IUPACN-(4-fluorophenyl)-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)Nc1ccc(F)cc1
InChIInChI=1S/C14H12FNOS/c15-11-6-8-12(9-7-11)16-14(17)10-18-13-4-2-1-3-5-13/h1-9H,10H2,(H,16,17)
InChIKeyBZOQHGJUFYYMFB-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.56
Rot. Bonds4

About N-(4-fluorophenyl)-2-phenylsulfanylacetamide

N-(4-fluorophenyl)-2-phenylsulfanylacetamide (PubChem CID 532041) has the molecular formula C14H12FNOS and a molecular weight of 261.32 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-phenylsulfanylacetamide
PubChem CID532041
Molecular FormulaC14H12FNOS
Molecular Weight261.32 g/mol
Exact Mass261.06
IUPAC NameN-(4-fluorophenyl)-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)Nc1ccc(F)cc1
InChIInChI=1S/C14H12FNOS/c15-11-6-8-12(9-7-11)16-14(17)10-18-13-4-2-1-3-5-13/h1-9H,10H2,(H,16,17)
InChIKeyBZOQHGJUFYYMFB-UHFFFAOYSA-N
XLogP3.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-fluorophenyl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanylacetamide
CID 19712820
N-(4-fluorophenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 2824699
2-(4-chlorophenyl)sulfanyl-N-(4-fluorophenyl)acetamide
CID 738704
N-(4-iodophenyl)-2-phenylsulfanylacetamide
CID 2889258
2-phenylsulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]acetamide
CID 1332250
N-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide
CID 19712455
N-(4-acetylphenyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 2194131
methyl 4-[(2-phenylsulfanylacetyl)amino]benzoate
CID 807677
N-(4-nitrophenyl)-2-phenylsulfanylacetamide
CID 3879245
N-(4-fluorophenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 5051825
N-methyl-2-[4-[(2-phenylsulfanylacetyl)amino]phenyl]acetamide
CID 134062919
(E)-N-[3-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylphenyl]-3-phenylprop-2-enamide
CID 18901911

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(4-fluorophenyl)-2-phenylsulfanylacetamide (CID 532041) is N-(4-fluorophenyl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-phenylsulfanylacetamide is O=C(CSc1ccccc1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-phenylsulfanylacetamide?
The InChIKey is BZOQHGJUFYYMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNOS/c15-11-6-8-12(9-7-11)16-14(17)10-18-13-4-2-1-3-5-13/h1-9H,10H2,(H,16,17).
What are the key properties of N-(4-fluorophenyl)-2-phenylsulfanylacetamide?
N-(4-fluorophenyl)-2-phenylsulfanylacetamide has a molecular weight of 261.32 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 532041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).