N-benzhydryl-4-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]benzamide

C29H22FN3O2S — CID 5097406

IUPACN-benzhydryl-4-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]benzamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)c1ccc(Oc2nc(Cc3ccc(F)cc3)ns2)cc1
InChIInChI=1S/C29H22FN3O2S/c30-24-15-11-20(12-16-24)19-26-31-29(36-33-26)35-25-17-13-23(14-18-25)28(34)32-27(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-18,27H,19H2,(H,32,34)
InChIKeyGJPYDENXYJUTSQ-UHFFFAOYSA-N
MW495.58 g/mol
LogP6.58
Rot. Bonds8

About N-benzhydryl-4-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]benzamide

N-benzhydryl-4-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]benzamide (PubChem CID 5097406) has the molecular formula C29H22FN3O2S and a molecular weight of 495.58 g/mol. Its IUPAC name is N-benzhydryl-4-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]benzamide.

Molecular Properties

Compound NameN-benzhydryl-4-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]benzamide
PubChem CID5097406
Molecular FormulaC29H22FN3O2S
Molecular Weight495.58 g/mol
Exact Mass495.14
IUPAC NameN-benzhydryl-4-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]benzamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)c1ccc(Oc2nc(Cc3ccc(F)cc3)ns2)cc1
InChIInChI=1S/C29H22FN3O2S/c30-24-15-11-20(12-16-24)19-26-31-29(36-33-26)35-25-17-13-23(14-18-25)28(34)32-27(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-18,27H,19H2,(H,32,34)
InChIKeyGJPYDENXYJUTSQ-UHFFFAOYSA-N
XLogP6.58
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.58
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-benzhydryl-4-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]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

N-benzhydryl-4-[[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]benzamide
CID 4986120
N-benzhydryl-3-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]-4-methoxybenzamide
CID 3610987
3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-4-methoxy-N-[(1S)-1-phenylethyl]benzamide
CID 93003100
2-[4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-(1-phenylethyl)acetamide
CID 3509663
N-benzhydryl-3-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]benzamide
CID 3259414
2-[4-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]-N-propylacetamide
CID 42775870
3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-N-(2-phenylethyl)benzamide
CID 4304548
(4-benzhydrylpiperazin-1-yl)-[3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]methanone
CID 3369596
2-[4-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]-1-pyrrolidin-1-ylethanone
CID 42775869
N-butan-2-yl-4-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-3-methoxybenzamide
CID 5205439
(4-benzhydrylpiperazin-1-yl)-[4-[[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]methanone
CID 5224962
[4-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 4997982

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-4-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]benzamide?
The IUPAC name of N-benzhydryl-4-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]benzamide (CID 5097406) is N-benzhydryl-4-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]benzamide.
What is the SMILES notation for N-benzhydryl-4-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]benzamide?
The canonical SMILES for N-benzhydryl-4-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]benzamide is O=C(NC(c1ccccc1)c1ccccc1)c1ccc(Oc2nc(Cc3ccc(F)cc3)ns2)cc1.
What is the InChIKey of N-benzhydryl-4-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]benzamide?
The InChIKey is GJPYDENXYJUTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22FN3O2S/c30-24-15-11-20(12-16-24)19-26-31-29(36-33-26)35-25-17-13-23(14-18-25)28(34)32-27(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-18,27H,19H2,(H,32,34).
What are the key properties of N-benzhydryl-4-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]benzamide?
N-benzhydryl-4-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]benzamide has a molecular weight of 495.58 g/mol, XLogP of 6.58, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-4-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]benzamide is sourced from PubChem (CID 5097406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).