N-(2-fluoro-5-methylphenyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide

C22H18FN5OS — CID 55405666

IUPACN-(2-fluoro-5-methylphenyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
SMILESCc1ccc(F)c(NC(=O)c2ccccc2SCc2nnnn2-c2ccccc2)c1
InChIInChI=1S/C22H18FN5OS/c1-15-11-12-18(23)19(13-15)24-22(29)17-9-5-6-10-20(17)30-14-21-25-26-27-28(21)16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,24,29)
InChIKeyIFLHOQOHZJMPTD-UHFFFAOYSA-N
MW419.49 g/mol
LogP4.65
Rot. Bonds6

About N-(2-fluoro-5-methylphenyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide

N-(2-fluoro-5-methylphenyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide (PubChem CID 55405666) has the molecular formula C22H18FN5OS and a molecular weight of 419.49 g/mol. Its IUPAC name is N-(2-fluoro-5-methylphenyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide.

Molecular Properties

Compound NameN-(2-fluoro-5-methylphenyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
PubChem CID55405666
Molecular FormulaC22H18FN5OS
Molecular Weight419.49 g/mol
Exact Mass419.12
IUPAC NameN-(2-fluoro-5-methylphenyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
SMILESCc1ccc(F)c(NC(=O)c2ccccc2SCc2nnnn2-c2ccccc2)c1
InChIInChI=1S/C22H18FN5OS/c1-15-11-12-18(23)19(13-15)24-22(29)17-9-5-6-10-20(17)30-14-21-25-26-27-28(21)16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,24,29)
InChIKeyIFLHOQOHZJMPTD-UHFFFAOYSA-N
XLogP4.65
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(carbamoylamino)phenyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 55523727
N-(2-fluoro-5-methylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 2950071
N-(2-methoxyethyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 51217100
5-methyl-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]aniline
CID 43302280
N-(2-phenylethyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 55406223
N-(3-cyanophenyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 55405761
N-(2-fluoro-5-methylphenyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 31406631
N-dibenzofuran-3-yl-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 55967239
N-[(2R)-2-(ethylamino)propyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide;hydrochloride
CID 120654010
N-(5-benzyl-1,3-thiazol-2-yl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 112795860
2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide
CID 55961384
N-[(1-methylbenzimidazol-2-yl)methyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 55494907

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methylphenyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide?
The IUPAC name of N-(2-fluoro-5-methylphenyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide (CID 55405666) is N-(2-fluoro-5-methylphenyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide.
What is the SMILES notation for N-(2-fluoro-5-methylphenyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide?
The canonical SMILES for N-(2-fluoro-5-methylphenyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide is Cc1ccc(F)c(NC(=O)c2ccccc2SCc2nnnn2-c2ccccc2)c1.
What is the InChIKey of N-(2-fluoro-5-methylphenyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide?
The InChIKey is IFLHOQOHZJMPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5OS/c1-15-11-12-18(23)19(13-15)24-22(29)17-9-5-6-10-20(17)30-14-21-25-26-27-28(21)16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,24,29).
What are the key properties of N-(2-fluoro-5-methylphenyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide?
N-(2-fluoro-5-methylphenyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide has a molecular weight of 419.49 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-methylphenyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide is sourced from PubChem (CID 55405666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).