4-fluoro-N-[3-[[[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]phenyl]benzamide

C23H21FN2O2S — CID 55893772

IUPAC4-fluoro-N-[3-[[[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]phenyl]benzamide
SMILESCc1ccc(SCC(=O)NCc2cccc(NC(=O)c3ccc(F)cc3)c2)cc1
InChIInChI=1S/C23H21FN2O2S/c1-16-5-11-21(12-6-16)29-15-22(27)25-14-17-3-2-4-20(13-17)26-23(28)18-7-9-19(24)10-8-18/h2-13H,14-15H2,1H3,(H,25,27)(H,26,28)
InChIKeyALNDOJIZVWHSSK-UHFFFAOYSA-N
MW408.50 g/mol
LogP4.79
Rot. Bonds7

About 4-fluoro-N-[3-[[[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]phenyl]benzamide

4-fluoro-N-[3-[[[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]phenyl]benzamide (PubChem CID 55893772) has the molecular formula C23H21FN2O2S and a molecular weight of 408.50 g/mol. Its IUPAC name is 4-fluoro-N-[3-[[[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[3-[[[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]phenyl]benzamide
PubChem CID55893772
Molecular FormulaC23H21FN2O2S
Molecular Weight408.50 g/mol
Exact Mass408.13
IUPAC Name4-fluoro-N-[3-[[[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]phenyl]benzamide
SMILESCc1ccc(SCC(=O)NCc2cccc(NC(=O)c3ccc(F)cc3)c2)cc1
InChIInChI=1S/C23H21FN2O2S/c1-16-5-11-21(12-6-16)29-15-22(27)25-14-17-3-2-4-20(13-17)26-23(28)18-7-9-19(24)10-8-18/h2-13H,14-15H2,1H3,(H,25,27)(H,26,28)
InChIKeyALNDOJIZVWHSSK-UHFFFAOYSA-N
XLogP4.79
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-N-[3-[[[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[3-[[[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]phenyl]butanamide
CID 55749581
4-fluoro-N-[4-[2-(4-methylphenyl)-2-oxoethyl]sulfanylphenyl]benzamide
CID 19629433
N-[3-[[(4-acetamidobenzoyl)amino]methyl]phenyl]-4-methylbenzamide
CID 60535740
3-fluoro-N-[3-[[[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetyl]amino]methyl]phenyl]benzamide
CID 55947223
4-fluoro-N-[3-[[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]methyl]phenyl]benzamide
CID 60535431
N'-[2-(4-fluorophenyl)sulfanylacetyl]-4-methylbenzohydrazide
CID 7479562
ethyl 4-[[3-[(4-methylbenzoyl)amino]phenyl]methylamino]-4-oxobutanoate
CID 51121587
N-[(4-fluorophenyl)methyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 2629170
4-fluoro-N-[3-[[3-(2-hydroxyphenyl)propanoylamino]methyl]phenyl]benzamide
CID 51121607
N-[3-[[(2-cyclohexylacetyl)amino]methyl]phenyl]-4-fluorobenzamide
CID 55893896
3-bromo-N-[2-[[3-[(4-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethyl]benzamide
CID 55948110
N-(4-fluorophenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 2824699

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-[[[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]phenyl]benzamide?
The IUPAC name of 4-fluoro-N-[3-[[[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]phenyl]benzamide (CID 55893772) is 4-fluoro-N-[3-[[[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]phenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[3-[[[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]phenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[3-[[[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]phenyl]benzamide is Cc1ccc(SCC(=O)NCc2cccc(NC(=O)c3ccc(F)cc3)c2)cc1.
What is the InChIKey of 4-fluoro-N-[3-[[[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]phenyl]benzamide?
The InChIKey is ALNDOJIZVWHSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O2S/c1-16-5-11-21(12-6-16)29-15-22(27)25-14-17-3-2-4-20(13-17)26-23(28)18-7-9-19(24)10-8-18/h2-13H,14-15H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 4-fluoro-N-[3-[[[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]phenyl]benzamide?
4-fluoro-N-[3-[[[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]phenyl]benzamide has a molecular weight of 408.50 g/mol, XLogP of 4.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-[[[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]phenyl]benzamide is sourced from PubChem (CID 55893772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).