N-[(Z)-benzylideneamino]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide

C24H18F3N5OS — CID 41295270

IUPACN-[(Z)-benzylideneamino]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CSc1nncn1-c1ccccc1)N(/N=C\c1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H18F3N5OS/c25-24(26,27)19-10-7-13-21(14-19)32(29-15-18-8-3-1-4-9-18)22(33)16-34-23-30-28-17-31(23)20-11-5-2-6-12-20/h1-15,17H,16H2/b29-15-
InChIKeyRFTINDDVLPXMAG-FDVSRXAVSA-N
MW481.50 g/mol
LogP5.45
Rot. Bonds7

About N-[(Z)-benzylideneamino]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide

N-[(Z)-benzylideneamino]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 41295270) has the molecular formula C24H18F3N5OS and a molecular weight of 481.50 g/mol. Its IUPAC name is N-[(Z)-benzylideneamino]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[(Z)-benzylideneamino]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID41295270
Molecular FormulaC24H18F3N5OS
Molecular Weight481.50 g/mol
Exact Mass481.12
IUPAC NameN-[(Z)-benzylideneamino]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CSc1nncn1-c1ccccc1)N(/N=C\c1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H18F3N5OS/c25-24(26,27)19-10-7-13-21(14-19)32(29-15-18-8-3-1-4-9-18)22(33)16-34-23-30-28-17-31(23)20-11-5-2-6-12-20/h1-15,17H,16H2/b29-15-
InChIKeyRFTINDDVLPXMAG-FDVSRXAVSA-N
XLogP5.45
TPSA63.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.50
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-benzylideneamino]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 55476747
N-[(E)-benzylideneamino]-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 43033353
2-[2-[2-[N-[(E)-benzylideneamino]-3-(trifluoromethyl)anilino]-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide
CID 46683865
N-[(E)-benzylideneamino]-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 43033343
N-[(3-chlorophenyl)methyl]-N-methyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 9345074
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 9345012
2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyanoethyl)-N-phenylacetamide
CID 40568576
2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-[[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]ethyl]acetamide
CID 16529726
2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,2-diphenylpropyl)acetamide
CID 24667704
1-(4-phenylpiperazin-1-yl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 4819769
2-[[4-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone
CID 30701751
2-[[5-(2-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenylacetamide
CID 2079096

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-benzylideneamino]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[(Z)-benzylideneamino]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 41295270) is N-[(Z)-benzylideneamino]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[(Z)-benzylideneamino]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[(Z)-benzylideneamino]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(CSc1nncn1-c1ccccc1)N(/N=C\c1ccccc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(Z)-benzylideneamino]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is RFTINDDVLPXMAG-FDVSRXAVSA-N. The full InChI is InChI=1S/C24H18F3N5OS/c25-24(26,27)19-10-7-13-21(14-19)32(29-15-18-8-3-1-4-9-18)22(33)16-34-23-30-28-17-31(23)20-11-5-2-6-12-20/h1-15,17H,16H2/b29-15-.
What are the key properties of N-[(Z)-benzylideneamino]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide?
N-[(Z)-benzylideneamino]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 481.50 g/mol, XLogP of 5.45, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-benzylideneamino]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 41295270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).