2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(4-methoxyphenyl)acetamide

C16H14FN5O2S — CID 1078049

IUPAC2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2nnnn2-c2ccccc2F)cc1
InChIInChI=1S/C16H14FN5O2S/c1-24-12-8-6-11(7-9-12)18-15(23)10-25-16-19-20-21-22(16)14-5-3-2-4-13(14)17/h2-9H,10H2,1H3,(H,18,23)
InChIKeyQAJRYDGKJXCQQN-UHFFFAOYSA-N
MW359.39 g/mol
LogP2.54
Rot. Bonds6

About 2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(4-methoxyphenyl)acetamide

2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(4-methoxyphenyl)acetamide (PubChem CID 1078049) has the molecular formula C16H14FN5O2S and a molecular weight of 359.39 g/mol. Its IUPAC name is 2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
PubChem CID1078049
Molecular FormulaC16H14FN5O2S
Molecular Weight359.39 g/mol
Exact Mass359.09
IUPAC Name2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2nnnn2-c2ccccc2F)cc1
InChIInChI=1S/C16H14FN5O2S/c1-24-12-8-6-11(7-9-12)18-15(23)10-25-16-19-20-21-22(16)14-5-3-2-4-13(14)17/h2-9H,10H2,1H3,(H,18,23)
InChIKeyQAJRYDGKJXCQQN-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

Propanamide, N-(4-methoxyphenyl)-3-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)thio]-
CID 3916392
N-(4-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 847552
2-[1-(2-Fluoro-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-(2-methoxy-phenyl)-acetamide
CID 1078050
2-[1-(4-Methoxyphenyl)tetrazol-5-yl]sulfonyl-1-piperidin-1-ylethanone
CID 1263400
N-(4-butoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2164243
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(4-methoxyphenyl)acetamide
CID 3228979
4-((1-(4-Methoxyphenyl)-1H-tetrazol-5-yl)thio)but-2-yn-1-ol
CID 666301
2-{[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]thio}-N-(2-methyl-2H-tetrazol-5-yl)acetamide
CID 2024579
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
2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide
CID 853705
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[1-(3,4-dimethoxyphenyl)-5-tetrazolyl]thio]acetamide
CID 645218

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(4-methoxyphenyl)acetamide (CID 1078049) is 2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CSc2nnnn2-c2ccccc2F)cc1.
What is the InChIKey of 2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(4-methoxyphenyl)acetamide?
The InChIKey is QAJRYDGKJXCQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O2S/c1-24-12-8-6-11(7-9-12)18-15(23)10-25-16-19-20-21-22(16)14-5-3-2-4-13(14)17/h2-9H,10H2,1H3,(H,18,23).
What are the key properties of 2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(4-methoxyphenyl)acetamide?
2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(4-methoxyphenyl)acetamide 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 2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 1078049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).