4-fluoro-N-[4-[2-oxo-2-(4-propan-2-ylanilino)ethyl]sulfanylphenyl]benzamide

C24H23FN2O2S — CID 22777816

IUPAC4-fluoro-N-[4-[2-oxo-2-(4-propan-2-ylanilino)ethyl]sulfanylphenyl]benzamide
SMILESCC(C)c1ccc(NC(=O)CSc2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C24H23FN2O2S/c1-16(2)17-5-9-20(10-6-17)26-23(28)15-30-22-13-11-21(12-14-22)27-24(29)18-3-7-19(25)8-4-18/h3-14,16H,15H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyJLXKNYJLCBUVML-UHFFFAOYSA-N
MW422.53 g/mol
LogP5.93
Rot. Bonds7

About 4-fluoro-N-[4-[2-oxo-2-(4-propan-2-ylanilino)ethyl]sulfanylphenyl]benzamide

4-fluoro-N-[4-[2-oxo-2-(4-propan-2-ylanilino)ethyl]sulfanylphenyl]benzamide (PubChem CID 22777816) has the molecular formula C24H23FN2O2S and a molecular weight of 422.53 g/mol. Its IUPAC name is 4-fluoro-N-[4-[2-oxo-2-(4-propan-2-ylanilino)ethyl]sulfanylphenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-[2-oxo-2-(4-propan-2-ylanilino)ethyl]sulfanylphenyl]benzamide
PubChem CID22777816
Molecular FormulaC24H23FN2O2S
Molecular Weight422.53 g/mol
Exact Mass422.15
IUPAC Name4-fluoro-N-[4-[2-oxo-2-(4-propan-2-ylanilino)ethyl]sulfanylphenyl]benzamide
SMILESCC(C)c1ccc(NC(=O)CSc2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C24H23FN2O2S/c1-16(2)17-5-9-20(10-6-17)26-23(28)15-30-22-13-11-21(12-14-22)27-24(29)18-3-7-19(25)8-4-18/h3-14,16H,15H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyJLXKNYJLCBUVML-UHFFFAOYSA-N
XLogP5.93
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.53
LogP ≤ 55.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]-4-fluorobenzamide
CID 22781220
N-(4-acetylphenyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 2194131
2-chloro-5-[[2-[4-[(4-fluorobenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid
CID 23095251
2-(4-bromophenyl)sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 1278156
N-(4-fluorophenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 2824699
2-(4-chlorophenyl)sulfanyl-N-(4-fluorophenyl)acetamide
CID 738704
methyl 2-[[4-[[2-(4-fluorophenyl)sulfanylacetyl]amino]benzoyl]amino]acetate
CID 46421581
4-propan-2-yl-N-(4-propan-2-ylphenyl)benzamide
CID 1406437
4-fluoro-N-[4-[2-(4-methylphenyl)-2-oxoethyl]sulfanylphenyl]benzamide
CID 19629433
N-[4-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]sulfanylphenyl]-4-fluorobenzamide
CID 23098202
N-[4-(3-methylbutanoylamino)phenyl]-4-propan-2-ylbenzamide
CID 17194143
N-(4-fluorophenyl)-2-phenylsulfanylacetamide
CID 532041

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-[2-oxo-2-(4-propan-2-ylanilino)ethyl]sulfanylphenyl]benzamide?
The IUPAC name of 4-fluoro-N-[4-[2-oxo-2-(4-propan-2-ylanilino)ethyl]sulfanylphenyl]benzamide (CID 22777816) is 4-fluoro-N-[4-[2-oxo-2-(4-propan-2-ylanilino)ethyl]sulfanylphenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[4-[2-oxo-2-(4-propan-2-ylanilino)ethyl]sulfanylphenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[4-[2-oxo-2-(4-propan-2-ylanilino)ethyl]sulfanylphenyl]benzamide is CC(C)c1ccc(NC(=O)CSc2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1.
What is the InChIKey of 4-fluoro-N-[4-[2-oxo-2-(4-propan-2-ylanilino)ethyl]sulfanylphenyl]benzamide?
The InChIKey is JLXKNYJLCBUVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O2S/c1-16(2)17-5-9-20(10-6-17)26-23(28)15-30-22-13-11-21(12-14-22)27-24(29)18-3-7-19(25)8-4-18/h3-14,16H,15H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of 4-fluoro-N-[4-[2-oxo-2-(4-propan-2-ylanilino)ethyl]sulfanylphenyl]benzamide?
4-fluoro-N-[4-[2-oxo-2-(4-propan-2-ylanilino)ethyl]sulfanylphenyl]benzamide has a molecular weight of 422.53 g/mol, XLogP of 5.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-[2-oxo-2-(4-propan-2-ylanilino)ethyl]sulfanylphenyl]benzamide is sourced from PubChem (CID 22777816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).