N-(2-fluorophenyl)-2-phenylsulfanylacetamide

C14H12FNOS — CID 532867

IUPACN-(2-fluorophenyl)-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)Nc1ccccc1F
InChIInChI=1S/C14H12FNOS/c15-12-8-4-5-9-13(12)16-14(17)10-18-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17)
InChIKeyGGSNUOCLYCAAKJ-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.56
Rot. Bonds4

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

N-(2-fluorophenyl)-2-phenylsulfanylacetamide (PubChem CID 532867) has the molecular formula C14H12FNOS and a molecular weight of 261.32 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-phenylsulfanylacetamide
PubChem CID532867
Molecular FormulaC14H12FNOS
Molecular Weight261.32 g/mol
Exact Mass261.06
IUPAC NameN-(2-fluorophenyl)-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)Nc1ccccc1F
InChIInChI=1S/C14H12FNOS/c15-12-8-4-5-9-13(12)16-14(17)10-18-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17)
InChIKeyGGSNUOCLYCAAKJ-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

Monoacetyldapsone
CID 11257
Thioglycolic acid anilide
CID 10382
Carbamothioic acid, S-[2-oxo-2-(phenylamino)ethyl] ester
CID 224656
4H-1,4-Benzothiazin-3-one
CID 21396
2-Acetamidophenyl phenyl sulfide
CID 365383
2-(benzylthio)-N-phenylacetamide
CID 584914
N-phenyl-2-(2-thienyl)acetamide
CID 779609
2,3-Dihydro-1,5-benzothiazepin-4(5H)-one
CID 96471
2-Methyl-1,5-benzothiazepin-4(5H)-one
CID 44913
N-[3-(methylsulfanyl)phenyl]propanamide
CID 837887
2-Methyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one
CID 2728636
4'-(Methylthio)acetanilide
CID 289475

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(2-fluorophenyl)-2-phenylsulfanylacetamide (CID 532867) is N-(2-fluorophenyl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-phenylsulfanylacetamide is O=C(CSc1ccccc1)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-phenylsulfanylacetamide?
The InChIKey is GGSNUOCLYCAAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNOS/c15-12-8-4-5-9-13(12)16-14(17)10-18-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17).
What are the key properties of N-(2-fluorophenyl)-2-phenylsulfanylacetamide?
N-(2-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-(2-fluorophenyl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 532867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).