N-(3-acetylphenyl)-4-[5-[(4-fluorophenyl)methylsulfanyl]tetrazol-1-yl]benzamide

C23H18FN5O2S — CID 46377534

IUPACN-(3-acetylphenyl)-4-[5-[(4-fluorophenyl)methylsulfanyl]tetrazol-1-yl]benzamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc(-n3nnnc3SCc3ccc(F)cc3)cc2)c1
InChIInChI=1S/C23H18FN5O2S/c1-15(30)18-3-2-4-20(13-18)25-22(31)17-7-11-21(12-8-17)29-23(26-27-28-29)32-14-16-5-9-19(24)10-6-16/h2-13H,14H2,1H3,(H,25,31)
InChIKeyQDZCJGFOHWQPKR-UHFFFAOYSA-N
MW447.50 g/mol
LogP4.55
Rot. Bonds7

About N-(3-acetylphenyl)-4-[5-[(4-fluorophenyl)methylsulfanyl]tetrazol-1-yl]benzamide

N-(3-acetylphenyl)-4-[5-[(4-fluorophenyl)methylsulfanyl]tetrazol-1-yl]benzamide (PubChem CID 46377534) has the molecular formula C23H18FN5O2S and a molecular weight of 447.50 g/mol. Its IUPAC name is N-(3-acetylphenyl)-4-[5-[(4-fluorophenyl)methylsulfanyl]tetrazol-1-yl]benzamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-4-[5-[(4-fluorophenyl)methylsulfanyl]tetrazol-1-yl]benzamide
PubChem CID46377534
Molecular FormulaC23H18FN5O2S
Molecular Weight447.50 g/mol
Exact Mass447.12
IUPAC NameN-(3-acetylphenyl)-4-[5-[(4-fluorophenyl)methylsulfanyl]tetrazol-1-yl]benzamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc(-n3nnnc3SCc3ccc(F)cc3)cc2)c1
InChIInChI=1S/C23H18FN5O2S/c1-15(30)18-3-2-4-20(13-18)25-22(31)17-7-11-21(12-8-17)29-23(26-27-28-29)32-14-16-5-9-19(24)10-6-16/h2-13H,14H2,1H3,(H,25,31)
InChIKeyQDZCJGFOHWQPKR-UHFFFAOYSA-N
XLogP4.55
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(3-acetylphenyl)-4-[5-[(4-fluorophenyl)methylsulfanyl]tetrazol-1-yl]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-(4-chlorophenyl)-4-[5-[(4-fluorophenyl)methylsulfanyl]tetrazol-1-yl]benzamide
CID 46377540
N-(3-acetylphenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2563249
N-[3-[5-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methylsulfanyl]tetrazol-1-yl]phenyl]acetamide
CID 39074837
N-[3-[[2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]phenyl]propanamide
CID 1175654
N-(4-ethylphenyl)-4-(5-methylsulfanyltetrazol-1-yl)benzamide
CID 46377493
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 38679670
N-(3-acetylphenyl)-5-amino-1-(4-fluorophenyl)triazole-4-carboxamide
CID 17014902
N-(4-ethylphenyl)-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 18874225
4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]benzamide
CID 27309581
N-(3-acetylphenyl)-2-[1-(1,3-benzodioxol-5-yl)tetrazol-5-yl]sulfanylacetamide
CID 1175687
2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-N-(3-fluorophenyl)acetamide
CID 3570863
3-[[2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-methylbenzamide
CID 8793113

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-4-[5-[(4-fluorophenyl)methylsulfanyl]tetrazol-1-yl]benzamide?
The IUPAC name of N-(3-acetylphenyl)-4-[5-[(4-fluorophenyl)methylsulfanyl]tetrazol-1-yl]benzamide (CID 46377534) is N-(3-acetylphenyl)-4-[5-[(4-fluorophenyl)methylsulfanyl]tetrazol-1-yl]benzamide.
What is the SMILES notation for N-(3-acetylphenyl)-4-[5-[(4-fluorophenyl)methylsulfanyl]tetrazol-1-yl]benzamide?
The canonical SMILES for N-(3-acetylphenyl)-4-[5-[(4-fluorophenyl)methylsulfanyl]tetrazol-1-yl]benzamide is CC(=O)c1cccc(NC(=O)c2ccc(-n3nnnc3SCc3ccc(F)cc3)cc2)c1.
What is the InChIKey of N-(3-acetylphenyl)-4-[5-[(4-fluorophenyl)methylsulfanyl]tetrazol-1-yl]benzamide?
The InChIKey is QDZCJGFOHWQPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5O2S/c1-15(30)18-3-2-4-20(13-18)25-22(31)17-7-11-21(12-8-17)29-23(26-27-28-29)32-14-16-5-9-19(24)10-6-16/h2-13H,14H2,1H3,(H,25,31).
What are the key properties of N-(3-acetylphenyl)-4-[5-[(4-fluorophenyl)methylsulfanyl]tetrazol-1-yl]benzamide?
N-(3-acetylphenyl)-4-[5-[(4-fluorophenyl)methylsulfanyl]tetrazol-1-yl]benzamide has a molecular weight of 447.50 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-4-[5-[(4-fluorophenyl)methylsulfanyl]tetrazol-1-yl]benzamide is sourced from PubChem (CID 46377534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).