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

C15H14FNOS — CID 5051825

IUPACN-(4-fluorophenyl)-2-(2-methylphenyl)sulfanylacetamide
SMILESCc1ccccc1SCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H14FNOS/c1-11-4-2-3-5-14(11)19-10-15(18)17-13-8-6-12(16)7-9-13/h2-9H,10H2,1H3,(H,17,18)
InChIKeyPBHMFWSXZVRLLA-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.86
Rot. Bonds4

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

N-(4-fluorophenyl)-2-(2-methylphenyl)sulfanylacetamide (PubChem CID 5051825) has the molecular formula C15H14FNOS and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(2-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(2-methylphenyl)sulfanylacetamide
PubChem CID5051825
Molecular FormulaC15H14FNOS
Molecular Weight275.35 g/mol
Exact Mass275.08
IUPAC NameN-(4-fluorophenyl)-2-(2-methylphenyl)sulfanylacetamide
SMILESCc1ccccc1SCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H14FNOS/c1-11-4-2-3-5-14(11)19-10-15(18)17-13-8-6-12(16)7-9-13/h2-9H,10H2,1H3,(H,17,18)
InChIKeyPBHMFWSXZVRLLA-UHFFFAOYSA-N
XLogP3.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylphenyl)sulfanyl-N-pyridin-4-ylacetamide
CID 4215609
ethyl 4-[[2-(2-methylphenyl)sulfanylacetyl]amino]benzoate
CID 5011495
N-(3-iodo-4-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 7925479
N-(4-fluorophenyl)-2-phenylsulfanylacetamide
CID 532041
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylbenzoate
CID 42114273
2-(2-methylphenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
CID 2458170
N-[4-(diethylsulfamoyl)phenyl]-2-(2-methylphenyl)sulfanylacetamide
CID 9415957
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylbenzoate
CID 42114247
N-(4-fluorophenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 2824699
2-(2-methylphenyl)sulfanyl-N-[4-(propylsulfamoyl)phenyl]acetamide
CID 38351202
2-(2-amino-4-fluorophenyl)sulfanyl-N-(4-methylphenyl)acetamide
CID 43304409
N-(2-fluoro-4-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 26683495

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(2-methylphenyl)sulfanylacetamide?
The IUPAC name of N-(4-fluorophenyl)-2-(2-methylphenyl)sulfanylacetamide (CID 5051825) is N-(4-fluorophenyl)-2-(2-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(2-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(2-methylphenyl)sulfanylacetamide is Cc1ccccc1SCC(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-(2-methylphenyl)sulfanylacetamide?
The InChIKey is PBHMFWSXZVRLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNOS/c1-11-4-2-3-5-14(11)19-10-15(18)17-13-8-6-12(16)7-9-13/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of N-(4-fluorophenyl)-2-(2-methylphenyl)sulfanylacetamide?
N-(4-fluorophenyl)-2-(2-methylphenyl)sulfanylacetamide has a molecular weight of 275.35 g/mol, XLogP of 3.86, 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-(2-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 5051825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).