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

C22H18FNO2S — CID 19629433

IUPAC4-fluoro-N-[4-[2-(4-methylphenyl)-2-oxoethyl]sulfanylphenyl]benzamide
SMILESCc1ccc(C(=O)CSc2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C22H18FNO2S/c1-15-2-4-16(5-3-15)21(25)14-27-20-12-10-19(11-13-20)24-22(26)17-6-8-18(23)9-7-17/h2-13H,14H2,1H3,(H,24,26)
InChIKeyZAZWYVWSXSHBGU-UHFFFAOYSA-N
MW379.46 g/mol
LogP5.36
Rot. Bonds6

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

4-fluoro-N-[4-[2-(4-methylphenyl)-2-oxoethyl]sulfanylphenyl]benzamide (PubChem CID 19629433) has the molecular formula C22H18FNO2S and a molecular weight of 379.46 g/mol. Its IUPAC name is 4-fluoro-N-[4-[2-(4-methylphenyl)-2-oxoethyl]sulfanylphenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-[2-(4-methylphenyl)-2-oxoethyl]sulfanylphenyl]benzamide
PubChem CID19629433
Molecular FormulaC22H18FNO2S
Molecular Weight379.46 g/mol
Exact Mass379.10
IUPAC Name4-fluoro-N-[4-[2-(4-methylphenyl)-2-oxoethyl]sulfanylphenyl]benzamide
SMILESCc1ccc(C(=O)CSc2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C22H18FNO2S/c1-15-2-4-16(5-3-15)21(25)14-27-20-12-10-19(11-13-20)24-22(26)17-6-8-18(23)9-7-17/h2-13H,14H2,1H3,(H,24,26)
InChIKeyZAZWYVWSXSHBGU-UHFFFAOYSA-N
XLogP5.36
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.46
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide
CID 22779188
N-[4-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylphenyl]-3,4-dimethoxybenzamide
CID 22778312
N-(4-fluorophenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 2824699
N-[(Z)-3-[4-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylanilino]-1-(4-methylphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 22783654
4-fluoro-N-[4-[2-oxo-2-(4-propan-2-ylanilino)ethyl]sulfanylphenyl]benzamide
CID 22777816
N'-[2-(4-fluorophenyl)sulfanylacetyl]-4-methylbenzohydrazide
CID 7479562
N-[4-[2-(4-carbamoylanilino)-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide
CID 22777218
N-[4-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylphenyl]-3-nitrobenzamide
CID 22775598
(E)-4-[4-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylanilino]-4-oxobut-2-enoic acid
CID 22784725
N-[4-[2-(4-methylphenyl)sulfanylacetyl]phenyl]-2-phenylacetamide
CID 6421543
4-fluoro-N-[3-[[[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]phenyl]benzamide
CID 55893772
N-(4-fluorophenyl)-4-(4-methylphenoxy)benzamide
CID 16651045

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-[2-(4-methylphenyl)-2-oxoethyl]sulfanylphenyl]benzamide?
The IUPAC name of 4-fluoro-N-[4-[2-(4-methylphenyl)-2-oxoethyl]sulfanylphenyl]benzamide (CID 19629433) is 4-fluoro-N-[4-[2-(4-methylphenyl)-2-oxoethyl]sulfanylphenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[4-[2-(4-methylphenyl)-2-oxoethyl]sulfanylphenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[4-[2-(4-methylphenyl)-2-oxoethyl]sulfanylphenyl]benzamide is Cc1ccc(C(=O)CSc2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1.
What is the InChIKey of 4-fluoro-N-[4-[2-(4-methylphenyl)-2-oxoethyl]sulfanylphenyl]benzamide?
The InChIKey is ZAZWYVWSXSHBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FNO2S/c1-15-2-4-16(5-3-15)21(25)14-27-20-12-10-19(11-13-20)24-22(26)17-6-8-18(23)9-7-17/h2-13H,14H2,1H3,(H,24,26).
What are the key properties of 4-fluoro-N-[4-[2-(4-methylphenyl)-2-oxoethyl]sulfanylphenyl]benzamide?
4-fluoro-N-[4-[2-(4-methylphenyl)-2-oxoethyl]sulfanylphenyl]benzamide has a molecular weight of 379.46 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-[2-(4-methylphenyl)-2-oxoethyl]sulfanylphenyl]benzamide is sourced from PubChem (CID 19629433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).