N-[4-[2-(2-fluorophenyl)sulfanylacetyl]phenyl]propanamide

C17H16FNO2S — CID 7964698

IUPACN-[4-[2-(2-fluorophenyl)sulfanylacetyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C(=O)CSc2ccccc2F)cc1
InChIInChI=1S/C17H16FNO2S/c1-2-17(21)19-13-9-7-12(8-10-13)15(20)11-22-16-6-4-3-5-14(16)18/h3-10H,2,11H2,1H3,(H,19,21)
InChIKeyFRTNPBPIRVFZCV-UHFFFAOYSA-N
MW317.38 g/mol
LogP4.15
Rot. Bonds6

About N-[4-[2-(2-fluorophenyl)sulfanylacetyl]phenyl]propanamide

N-[4-[2-(2-fluorophenyl)sulfanylacetyl]phenyl]propanamide (PubChem CID 7964698) has the molecular formula C17H16FNO2S and a molecular weight of 317.38 g/mol. Its IUPAC name is N-[4-[2-(2-fluorophenyl)sulfanylacetyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[2-(2-fluorophenyl)sulfanylacetyl]phenyl]propanamide
PubChem CID7964698
Molecular FormulaC17H16FNO2S
Molecular Weight317.38 g/mol
Exact Mass317.09
IUPAC NameN-[4-[2-(2-fluorophenyl)sulfanylacetyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C(=O)CSc2ccccc2F)cc1
InChIInChI=1S/C17H16FNO2S/c1-2-17(21)19-13-9-7-12(8-10-13)15(20)11-22-16-6-4-3-5-14(16)18/h3-10H,2,11H2,1H3,(H,19,21)
InChIKeyFRTNPBPIRVFZCV-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 ≤ 500317.38
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(2-fluorophenyl)sulfanylacetyl]phenyl]benzamide
CID 7489443
N,N-diethyl-4-[[2-(2-fluorophenyl)sulfanylacetyl]amino]benzamide
CID 7965030
2-(2-fluorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanone
CID 43412043
N-(4-ethoxyphenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 2591885
N-(4-acetylphenyl)-3-(2-fluorophenyl)sulfanylpropanamide
CID 26465630
N-(4-bromophenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 2591716
[2-(4-acetamidophenyl)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate
CID 7676191
4-[3-(2-fluorophenyl)sulfanylpropanoylamino]benzamide
CID 26465908
N-(4-ethylphenyl)-3-(2-fluorophenyl)sulfanylpropanamide
CID 26721934
N-cyclopropyl-4-[[2-(2-fluorophenyl)sulfanylacetyl]amino]benzamide
CID 46584778
N-[4-[5-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]propanamide
CID 7341775
N-[4-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]phenyl]propanamide
CID 7465319

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-fluorophenyl)sulfanylacetyl]phenyl]propanamide?
The IUPAC name of N-[4-[2-(2-fluorophenyl)sulfanylacetyl]phenyl]propanamide (CID 7964698) is N-[4-[2-(2-fluorophenyl)sulfanylacetyl]phenyl]propanamide.
What is the SMILES notation for N-[4-[2-(2-fluorophenyl)sulfanylacetyl]phenyl]propanamide?
The canonical SMILES for N-[4-[2-(2-fluorophenyl)sulfanylacetyl]phenyl]propanamide is CCC(=O)Nc1ccc(C(=O)CSc2ccccc2F)cc1.
What is the InChIKey of N-[4-[2-(2-fluorophenyl)sulfanylacetyl]phenyl]propanamide?
The InChIKey is FRTNPBPIRVFZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2S/c1-2-17(21)19-13-9-7-12(8-10-13)15(20)11-22-16-6-4-3-5-14(16)18/h3-10H,2,11H2,1H3,(H,19,21).
What are the key properties of N-[4-[2-(2-fluorophenyl)sulfanylacetyl]phenyl]propanamide?
N-[4-[2-(2-fluorophenyl)sulfanylacetyl]phenyl]propanamide has a molecular weight of 317.38 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-[2-(2-fluorophenyl)sulfanylacetyl]phenyl]propanamide is sourced from PubChem (CID 7964698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).