2-(4-acetamidophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide

C17H17FN2O2S — CID 2537006

IUPAC2-(4-acetamidophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide
SMILESCC(=O)Nc1ccc(SCC(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C17H17FN2O2S/c1-12(21)20-14-6-8-15(9-7-14)23-11-17(22)19-10-13-4-2-3-5-16(13)18/h2-9H,10-11H2,1H3,(H,19,22)(H,20,21)
InChIKeyCMKKKIUDJHYDKK-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.19
Rot. Bonds6

About 2-(4-acetamidophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide

2-(4-acetamidophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide (PubChem CID 2537006) has the molecular formula C17H17FN2O2S and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide
PubChem CID2537006
Molecular FormulaC17H17FN2O2S
Molecular Weight332.40 g/mol
Exact Mass332.10
IUPAC Name2-(4-acetamidophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide
SMILESCC(=O)Nc1ccc(SCC(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C17H17FN2O2S/c1-12(21)20-14-6-8-15(9-7-14)23-11-17(22)19-10-13-4-2-3-5-16(13)18/h2-9H,10-11H2,1H3,(H,19,22)(H,20,21)
InChIKeyCMKKKIUDJHYDKK-UHFFFAOYSA-N
XLogP3.19
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-acetamidophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]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-[(4-acetamidophenyl)methyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 18153979
2-(4-acetamidophenyl)sulfanyl-N-ethylacetamide
CID 35964472
3-(4-acetamido-N-acetylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113131097
2-(4-acetamidophenyl)sulfanyl-N-(4-methylsulfanylphenyl)acetamide
CID 42154208
2-acetamido-N-[(2-fluorophenyl)methyl]acetamide
CID 110686999
N-[4-[(2,3-difluorophenyl)methylsulfanyl]phenyl]acetamide
CID 26301339
N'-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]propanediamide
CID 108946285
2-[[4-(3-acetamidophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(2-fluorophenyl)methyl]acetamide
CID 55570211
2-(2-bromophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide
CID 18098876
N-[(2-fluorophenyl)methyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 8809861
2-(3-cyanophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide
CID 71859901
2-(5-acetamido-2-methoxyanilino)-N-[(2-fluorophenyl)methyl]acetamide
CID 31673267

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide (CID 2537006) is 2-(4-acetamidophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(4-acetamidophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide is CC(=O)Nc1ccc(SCC(=O)NCc2ccccc2F)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide?
The InChIKey is CMKKKIUDJHYDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2S/c1-12(21)20-14-6-8-15(9-7-14)23-11-17(22)19-10-13-4-2-3-5-16(13)18/h2-9H,10-11H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 2-(4-acetamidophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide?
2-(4-acetamidophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide has a molecular weight of 332.40 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 2537006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).