2-(2,5-dimethylphenyl)sulfanyl-N-(2-fluorophenyl)acetamide

C16H16FNOS — CID 2616290

IUPAC2-(2,5-dimethylphenyl)sulfanyl-N-(2-fluorophenyl)acetamide
SMILESCc1ccc(C)c(SCC(=O)Nc2ccccc2F)c1
InChIInChI=1S/C16H16FNOS/c1-11-7-8-12(2)15(9-11)20-10-16(19)18-14-6-4-3-5-13(14)17/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyKVHWBDLLPVUKBT-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.17
Rot. Bonds4

About 2-(2,5-dimethylphenyl)sulfanyl-N-(2-fluorophenyl)acetamide

2-(2,5-dimethylphenyl)sulfanyl-N-(2-fluorophenyl)acetamide (PubChem CID 2616290) has the molecular formula C16H16FNOS and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)sulfanyl-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)sulfanyl-N-(2-fluorophenyl)acetamide
PubChem CID2616290
Molecular FormulaC16H16FNOS
Molecular Weight289.38 g/mol
Exact Mass289.09
IUPAC Name2-(2,5-dimethylphenyl)sulfanyl-N-(2-fluorophenyl)acetamide
SMILESCc1ccc(C)c(SCC(=O)Nc2ccccc2F)c1
InChIInChI=1S/C16H16FNOS/c1-11-7-8-12(2)15(9-11)20-10-16(19)18-14-6-4-3-5-13(14)17/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyKVHWBDLLPVUKBT-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

Analyze 2-(2,5-dimethylphenyl)sulfanyl-N-(2-fluorophenyl)acetamide 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-(2-chlorophenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 2616242
N-(2-fluoro-4-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 26683495
N-(2,6-difluorophenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 2616259
N-(2,4-dimethylphenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 24679630
2-(2,5-dimethylphenyl)sulfanyl-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride
CID 119440366
2-(2,5-dimethylphenyl)sulfanyl-N-(2-propoxyphenyl)acetamide
CID 42150419
N-(2-fluorophenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide
CID 78777754
2-(2-amino-5-methylphenyl)sulfanyl-N-(2-methylsulfanylphenyl)acetamide
CID 79126919
2-benzhydrylsulfanyl-N-(2-fluorophenyl)acetamide
CID 18272928
2-(4-amino-2-fluorophenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide
CID 43303668
methyl 4-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]-3-methylbenzoate
CID 36934480
N-[3-(carbamoylamino)phenyl]-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 36823108

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)sulfanyl-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-(2,5-dimethylphenyl)sulfanyl-N-(2-fluorophenyl)acetamide (CID 2616290) is 2-(2,5-dimethylphenyl)sulfanyl-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenyl)sulfanyl-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-(2,5-dimethylphenyl)sulfanyl-N-(2-fluorophenyl)acetamide is Cc1ccc(C)c(SCC(=O)Nc2ccccc2F)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)sulfanyl-N-(2-fluorophenyl)acetamide?
The InChIKey is KVHWBDLLPVUKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNOS/c1-11-7-8-12(2)15(9-11)20-10-16(19)18-14-6-4-3-5-13(14)17/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of 2-(2,5-dimethylphenyl)sulfanyl-N-(2-fluorophenyl)acetamide?
2-(2,5-dimethylphenyl)sulfanyl-N-(2-fluorophenyl)acetamide 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 2-(2,5-dimethylphenyl)sulfanyl-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 2616290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).