N-(2,4-difluorophenyl)-2-(3-methoxyphenyl)sulfanylacetamide

C15H13F2NO2S — CID 35040661

IUPACN-(2,4-difluorophenyl)-2-(3-methoxyphenyl)sulfanylacetamide
SMILESCOc1cccc(SCC(=O)Nc2ccc(F)cc2F)c1
InChIInChI=1S/C15H13F2NO2S/c1-20-11-3-2-4-12(8-11)21-9-15(19)18-14-6-5-10(16)7-13(14)17/h2-8H,9H2,1H3,(H,18,19)
InChIKeyCMUFAGZBIAMVNY-UHFFFAOYSA-N
MW309.34 g/mol
LogP3.70
Rot. Bonds5

About N-(2,4-difluorophenyl)-2-(3-methoxyphenyl)sulfanylacetamide

N-(2,4-difluorophenyl)-2-(3-methoxyphenyl)sulfanylacetamide (PubChem CID 35040661) has the molecular formula C15H13F2NO2S and a molecular weight of 309.34 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-(3-methoxyphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-(3-methoxyphenyl)sulfanylacetamide
PubChem CID35040661
Molecular FormulaC15H13F2NO2S
Molecular Weight309.34 g/mol
Exact Mass309.06
IUPAC NameN-(2,4-difluorophenyl)-2-(3-methoxyphenyl)sulfanylacetamide
SMILESCOc1cccc(SCC(=O)Nc2ccc(F)cc2F)c1
InChIInChI=1S/C15H13F2NO2S/c1-20-11-3-2-4-12(8-11)21-9-15(19)18-14-6-5-10(16)7-13(14)17/h2-8H,9H2,1H3,(H,18,19)
InChIKeyCMUFAGZBIAMVNY-UHFFFAOYSA-N
XLogP3.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,4-difluorophenyl)-2-(3-methoxyphenyl)sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,5-difluorophenyl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 35042477
N-(2,4-dimethylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 35040719
2-(3-methoxyphenyl)sulfanyl-N-(2,4,5-trichlorophenyl)acetamide
CID 35040704
N-(5-amino-2-methylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 29031142
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8548137
2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 9164992
N-(2,5-dimethoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 2609676
N-(2,4-difluorophenyl)-2-[[6-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]acetamide
CID 18572276
N-(2,6-dibromo-4-methylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 35040789
N-(2-amino-4-methoxyphenyl)-2-(3-bromophenyl)sulfanylacetamide
CID 62803715
N-(5-chloro-2-pyridinyl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 47152631
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(3-methoxyphenyl)sulfanylacetamide
CID 35041428

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-(3-methoxyphenyl)sulfanylacetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-(3-methoxyphenyl)sulfanylacetamide (CID 35040661) is N-(2,4-difluorophenyl)-2-(3-methoxyphenyl)sulfanylacetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-(3-methoxyphenyl)sulfanylacetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-(3-methoxyphenyl)sulfanylacetamide is COc1cccc(SCC(=O)Nc2ccc(F)cc2F)c1.
What is the InChIKey of N-(2,4-difluorophenyl)-2-(3-methoxyphenyl)sulfanylacetamide?
The InChIKey is CMUFAGZBIAMVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO2S/c1-20-11-3-2-4-12(8-11)21-9-15(19)18-14-6-5-10(16)7-13(14)17/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of N-(2,4-difluorophenyl)-2-(3-methoxyphenyl)sulfanylacetamide?
N-(2,4-difluorophenyl)-2-(3-methoxyphenyl)sulfanylacetamide has a molecular weight of 309.34 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-(3-methoxyphenyl)sulfanylacetamide is sourced from PubChem (CID 35040661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).