N-(4-acetylphenyl)-3-(2-fluorophenyl)sulfanylpropanamide

C17H16FNO2S — CID 26465630

IUPACN-(4-acetylphenyl)-3-(2-fluorophenyl)sulfanylpropanamide
SMILESCC(=O)c1ccc(NC(=O)CCSc2ccccc2F)cc1
InChIInChI=1S/C17H16FNO2S/c1-12(20)13-6-8-14(9-7-13)19-17(21)10-11-22-16-5-3-2-4-15(16)18/h2-9H,10-11H2,1H3,(H,19,21)
InChIKeyAPQXWPLOJXZGKU-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.15
Rot. Bonds6

About N-(4-acetylphenyl)-3-(2-fluorophenyl)sulfanylpropanamide

N-(4-acetylphenyl)-3-(2-fluorophenyl)sulfanylpropanamide (PubChem CID 26465630) has the molecular formula C17H16FNO2S and a molecular weight of 317.39 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-(2-fluorophenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-(2-fluorophenyl)sulfanylpropanamide
PubChem CID26465630
Molecular FormulaC17H16FNO2S
Molecular Weight317.39 g/mol
Exact Mass317.09
IUPAC NameN-(4-acetylphenyl)-3-(2-fluorophenyl)sulfanylpropanamide
SMILESCC(=O)c1ccc(NC(=O)CCSc2ccccc2F)cc1
InChIInChI=1S/C17H16FNO2S/c1-12(20)13-6-8-14(9-7-13)19-17(21)10-11-22-16-5-3-2-4-15(16)18/h2-9H,10-11H2,1H3,(H,19,21)
InChIKeyAPQXWPLOJXZGKU-UHFFFAOYSA-N
XLogP4.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(2-fluorophenyl)sulfanylpropanoylamino]benzamide
CID 26465908
N-(4-acetylphenyl)-3-(2-chlorophenyl)sulfanylpropanamide
CID 26665399
N-(4-ethylphenyl)-3-(2-fluorophenyl)sulfanylpropanamide
CID 26721934
N-(4-acetylphenyl)-3-(2-methoxyphenyl)sulfanylpropanamide
CID 60593778
N-[4-(cyanomethyl)phenyl]-3-(2-fluorophenyl)sulfanylpropanamide
CID 17473184
3-(2-fluorophenyl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 16567888
N-(3-chloro-4-methoxyphenyl)-3-(2-fluorophenyl)sulfanylpropanamide
CID 16567918
N-[4-[2-(2-fluorophenyl)sulfanylacetyl]phenyl]propanamide
CID 7964698
3-(2-fluorophenyl)sulfanylpropanehydrazide
CID 43236853
3-(2,4-difluorophenyl)sulfanyl-N-phenylpropanamide
CID 47152940
N-(4-acetylphenyl)-4-(4-chlorophenyl)sulfanylbutanamide
CID 41272367
N,N-diethyl-4-[[2-(2-fluorophenyl)sulfanylacetyl]amino]benzamide
CID 7965030

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-(2-fluorophenyl)sulfanylpropanamide?
The IUPAC name of N-(4-acetylphenyl)-3-(2-fluorophenyl)sulfanylpropanamide (CID 26465630) is N-(4-acetylphenyl)-3-(2-fluorophenyl)sulfanylpropanamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-(2-fluorophenyl)sulfanylpropanamide?
The canonical SMILES for N-(4-acetylphenyl)-3-(2-fluorophenyl)sulfanylpropanamide is CC(=O)c1ccc(NC(=O)CCSc2ccccc2F)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3-(2-fluorophenyl)sulfanylpropanamide?
The InChIKey is APQXWPLOJXZGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2S/c1-12(20)13-6-8-14(9-7-13)19-17(21)10-11-22-16-5-3-2-4-15(16)18/h2-9H,10-11H2,1H3,(H,19,21).
What are the key properties of N-(4-acetylphenyl)-3-(2-fluorophenyl)sulfanylpropanamide?
N-(4-acetylphenyl)-3-(2-fluorophenyl)sulfanylpropanamide has a molecular weight of 317.39 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-(2-fluorophenyl)sulfanylpropanamide is sourced from PubChem (CID 26465630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).