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

C16H16FNOS — CID 26683495

IUPACN-(2-fluoro-4-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2ccccc2C)c(F)c1
InChIInChI=1S/C16H16FNOS/c1-11-7-8-14(13(17)9-11)18-16(19)10-20-15-6-4-3-5-12(15)2/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyMEOLXWUGEXSVFE-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.17
Rot. Bonds4

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

N-(2-fluoro-4-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide (PubChem CID 26683495) has the molecular formula C16H16FNOS and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(2-fluoro-4-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-fluoro-4-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide
PubChem CID26683495
Molecular FormulaC16H16FNOS
Molecular Weight289.38 g/mol
Exact Mass289.09
IUPAC NameN-(2-fluoro-4-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2ccccc2C)c(F)c1
InChIInChI=1S/C16H16FNOS/c1-11-7-8-14(13(17)9-11)18-16(19)10-20-15-6-4-3-5-12(15)2/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyMEOLXWUGEXSVFE-UHFFFAOYSA-N
XLogP4.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dimethylphenyl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 2616290
N-(2,4-dimethylphenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 24679630
N-(2-chlorophenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 2616242
N-(4-bromo-2-fluorophenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 16520358
N-(2,6-difluorophenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 2616259
N-(4-fluorophenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 5051825
N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2-(2-methylphenyl)sulfanylacetamide
CID 39282722
N-(5-amino-2-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 60891052
2-(2-chlorophenyl)sulfanyl-N-(4-fluoro-2-methylphenyl)acetamide
CID 31456340
[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium
CID 9166307
N-(2-fluoro-4-methylphenyl)-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 8898768
3-amino-N-(2-fluoro-4-methylphenyl)-3-phenylpropanamide
CID 43114261

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide?
The IUPAC name of N-(2-fluoro-4-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide (CID 26683495) is N-(2-fluoro-4-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(2-fluoro-4-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-(2-fluoro-4-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide is Cc1ccc(NC(=O)CSc2ccccc2C)c(F)c1.
What is the InChIKey of N-(2-fluoro-4-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide?
The InChIKey is MEOLXWUGEXSVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNOS/c1-11-7-8-14(13(17)9-11)18-16(19)10-20-15-6-4-3-5-12(15)2/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of N-(2-fluoro-4-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide?
N-(2-fluoro-4-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide has a molecular weight of 289.38 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 26683495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).