N-(2-fluorophenyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide

C16H14FN5O2S — CID 6491225

IUPACN-(2-fluorophenyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCOc1cccc(-n2nnnc2SCC(=O)Nc2ccccc2F)c1
InChIInChI=1S/C16H14FN5O2S/c1-24-12-6-4-5-11(9-12)22-16(19-20-21-22)25-10-15(23)18-14-8-3-2-7-13(14)17/h2-9H,10H2,1H3,(H,18,23)
InChIKeyFRAISOZZVIBBKD-UHFFFAOYSA-N
MW359.39 g/mol
LogP2.54
Rot. Bonds6

About N-(2-fluorophenyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide

N-(2-fluorophenyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 6491225) has the molecular formula C16H14FN5O2S and a molecular weight of 359.39 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID6491225
Molecular FormulaC16H14FN5O2S
Molecular Weight359.39 g/mol
Exact Mass359.09
IUPAC NameN-(2-fluorophenyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCOc1cccc(-n2nnnc2SCC(=O)Nc2ccccc2F)c1
InChIInChI=1S/C16H14FN5O2S/c1-24-12-6-4-5-11(9-12)22-16(19-20-21-22)25-10-15(23)18-14-8-3-2-7-13(14)17/h2-9H,10H2,1H3,(H,18,23)
InChIKeyFRAISOZZVIBBKD-UHFFFAOYSA-N
XLogP2.54
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(2-Fluoro-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-(2-methoxy-phenyl)-acetamide
CID 1078050
1-(3-methoxyphenyl)-5-(methylsulfonyl)-1H-tetrazole
CID 2221997
2-[1-(3-Methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-phenethyl-acetamide
CID 651644
3-{[1-(4-fluorophenyl)-1H-tetrazol-5-yl]sulfanyl}-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 2945197
N-(2-(4-Methoxyphenyl)ethyl)-2-((1-phenyl-1H-tetraazol-5-YL)thio)acetamide
CID 985316
1-(3-Methoxyphenyl)-5-propylsulfonyltetrazole
CID 2215161
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[1-(3,4-dimethoxyphenyl)-5-tetrazolyl]thio]acetamide
CID 645218
N-(3-Acetylamino-phenyl)-2-[1-(3-methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetamide
CID 649509
2-[1-(2,5-Dimethoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-phenethyl-acetamide
CID 649518
2-(1-Benzo[1,3]dioxol-5-yl-1H-tetrazol-5-ylsulfanyl)-N-(2-methoxy-phenyl)-acetamide
CID 650626
2-[5-[(4-Fluoro-phenylamino)-methyl]-4-(3-methoxy-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetamide
CID 650953
N-(3,5-Dimethoxy-phenyl)-2-(1-ethyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 655782

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide (CID 6491225) is N-(2-fluorophenyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide is COc1cccc(-n2nnnc2SCC(=O)Nc2ccccc2F)c1.
What is the InChIKey of N-(2-fluorophenyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is FRAISOZZVIBBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O2S/c1-24-12-6-4-5-11(9-12)22-16(19-20-21-22)25-10-15(23)18-14-8-3-2-7-13(14)17/h2-9H,10H2,1H3,(H,18,23).
What are the key properties of N-(2-fluorophenyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
N-(2-fluorophenyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 359.39 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 6491225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).