4-fluoro-3-[[2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide

C23H17F2N5O2S — CID 112833607

IUPAC4-fluoro-3-[[2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide
SMILESNC(=O)c1ccc(F)c(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2-c2ccccc2)c1
InChIInChI=1S/C23H17F2N5O2S/c24-16-9-6-14(7-10-16)22-28-29-23(30(22)17-4-2-1-3-5-17)33-13-20(31)27-19-12-15(21(26)32)8-11-18(19)25/h1-12H,13H2,(H2,26,32)(H,27,31)
InChIKeyZVPFPRKUENDZOA-UHFFFAOYSA-N
MW465.49 g/mol
LogP4.04
Rot. Bonds7

About 4-fluoro-3-[[2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide

4-fluoro-3-[[2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide (PubChem CID 112833607) has the molecular formula C23H17F2N5O2S and a molecular weight of 465.49 g/mol. Its IUPAC name is 4-fluoro-3-[[2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide.

Molecular Properties

Compound Name4-fluoro-3-[[2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide
PubChem CID112833607
Molecular FormulaC23H17F2N5O2S
Molecular Weight465.49 g/mol
Exact Mass465.11
IUPAC Name4-fluoro-3-[[2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide
SMILESNC(=O)c1ccc(F)c(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2-c2ccccc2)c1
InChIInChI=1S/C23H17F2N5O2S/c24-16-9-6-14(7-10-16)22-28-29-23(30(22)17-4-2-1-3-5-17)33-13-20(31)27-19-12-15(21(26)32)8-11-18(19)25/h1-12H,13H2,(H2,26,32)(H,27,31)
InChIKeyZVPFPRKUENDZOA-UHFFFAOYSA-N
XLogP4.04
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.49
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-fluoro-3-[[2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide with MolForge

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Related Compounds

N-(2,5-difluorophenyl)-2-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 35589853
2-[[5-(4-chlorophenyl)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
CID 126114683
N-(3-chloro-2-fluorophenyl)-2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 29453101
2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide
CID 35960322
N-[2-(difluoromethoxy)phenyl]-2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 26895022
2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide
CID 30662921
N-(4-fluoro-3-nitrophenyl)-2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 41282069
N-(2-fluorophenyl)-2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2042704
N-(2-ethylphenyl)-2-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1317238
N-(3-chloro-4-fluorophenyl)-2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2046165
N-(2-acetylphenyl)-2-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 4852750
2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-2-pyridinyl)acetamide
CID 55465858

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[[2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide?
The IUPAC name of 4-fluoro-3-[[2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide (CID 112833607) is 4-fluoro-3-[[2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide.
What is the SMILES notation for 4-fluoro-3-[[2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide?
The canonical SMILES for 4-fluoro-3-[[2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide is NC(=O)c1ccc(F)c(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2-c2ccccc2)c1.
What is the InChIKey of 4-fluoro-3-[[2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide?
The InChIKey is ZVPFPRKUENDZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N5O2S/c24-16-9-6-14(7-10-16)22-28-29-23(30(22)17-4-2-1-3-5-17)33-13-20(31)27-19-12-15(21(26)32)8-11-18(19)25/h1-12H,13H2,(H2,26,32)(H,27,31).
What are the key properties of 4-fluoro-3-[[2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide?
4-fluoro-3-[[2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide has a molecular weight of 465.49 g/mol, XLogP of 4.04, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[[2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide is sourced from PubChem (CID 112833607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).