4-fluoro-N-[3-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]benzamide

C22H18FNO3S — CID 19299599

IUPAC4-fluoro-N-[3-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]benzamide
SMILESCOc1ccc(C(=O)CSc2cccc(NC(=O)c3ccc(F)cc3)c2)cc1
InChIInChI=1S/C22H18FNO3S/c1-27-19-11-7-15(8-12-19)21(25)14-28-20-4-2-3-18(13-20)24-22(26)16-5-9-17(23)10-6-16/h2-13H,14H2,1H3,(H,24,26)
InChIKeyQZEOFISEQJCPHY-UHFFFAOYSA-N
MW395.46 g/mol
LogP5.06
Rot. Bonds7

About 4-fluoro-N-[3-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]benzamide

4-fluoro-N-[3-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]benzamide (PubChem CID 19299599) has the molecular formula C22H18FNO3S and a molecular weight of 395.46 g/mol. Its IUPAC name is 4-fluoro-N-[3-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[3-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]benzamide
PubChem CID19299599
Molecular FormulaC22H18FNO3S
Molecular Weight395.46 g/mol
Exact Mass395.10
IUPAC Name4-fluoro-N-[3-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]benzamide
SMILESCOc1ccc(C(=O)CSc2cccc(NC(=O)c3ccc(F)cc3)c2)cc1
InChIInChI=1S/C22H18FNO3S/c1-27-19-11-7-15(8-12-19)21(25)14-28-20-4-2-3-18(13-20)24-22(26)16-5-9-17(23)10-6-16/h2-13H,14H2,1H3,(H,24,26)
InChIKeyQZEOFISEQJCPHY-UHFFFAOYSA-N
XLogP5.06
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.46
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanylphenyl]-4-fluorobenzamide
CID 19299592
N-[3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide
CID 19299396
N-[3-[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide
CID 19299539
N-[3-[(2-fluorophenyl)methylsulfanyl]phenyl]-4-methoxybenzamide
CID 19318775
4-methyl-N-(3-phenacylsulfanylphenyl)benzamide
CID 19299775
4-methoxy-N-(4-phenacylsulfanylphenyl)benzamide
CID 19629302
N-[4-[2-(4-methoxyphenyl)sulfanylacetyl]phenyl]benzamide
CID 8673492
2,6-dimethoxy-N-[3-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]benzamide
CID 19299834
4-fluoro-N-[3-[2-(3-nitrophenyl)-2-oxoethyl]sulfanylphenyl]benzamide
CID 19299596
4-fluoro-N-[3-[2-oxo-2-(4-phenoxyanilino)ethyl]sulfanylphenyl]benzamide
CID 18904222
1-[3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylphenyl]-3-phenylthiourea
CID 19300075
N-[4-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylphenyl]-3,4-dimethoxybenzamide
CID 22778312

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]benzamide?
The IUPAC name of 4-fluoro-N-[3-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]benzamide (CID 19299599) is 4-fluoro-N-[3-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[3-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[3-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]benzamide is COc1ccc(C(=O)CSc2cccc(NC(=O)c3ccc(F)cc3)c2)cc1.
What is the InChIKey of 4-fluoro-N-[3-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]benzamide?
The InChIKey is QZEOFISEQJCPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FNO3S/c1-27-19-11-7-15(8-12-19)21(25)14-28-20-4-2-3-18(13-20)24-22(26)16-5-9-17(23)10-6-16/h2-13H,14H2,1H3,(H,24,26).
What are the key properties of 4-fluoro-N-[3-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]benzamide?
4-fluoro-N-[3-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]benzamide has a molecular weight of 395.46 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]benzamide is sourced from PubChem (CID 19299599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).