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

C16H14FN5O2S — CID 1078050

IUPAC2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CSc1nnnn1-c1ccccc1F
InChIInChI=1S/C16H14FN5O2S/c1-24-14-9-5-3-7-12(14)18-15(23)10-25-16-19-20-21-22(16)13-8-4-2-6-11(13)17/h2-9H,10H2,1H3,(H,18,23)
InChIKeyXIEQZAWMYSHGEB-UHFFFAOYSA-N
MW359.39 g/mol
LogP2.54
Rot. Bonds6

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

2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxyphenyl)acetamide (PubChem CID 1078050) 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-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
PubChem CID1078050
Molecular FormulaC16H14FN5O2S
Molecular Weight359.39 g/mol
Exact Mass359.09
IUPAC Name2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CSc1nnnn1-c1ccccc1F
InChIInChI=1S/C16H14FN5O2S/c1-24-14-9-5-3-7-12(14)18-15(23)10-25-16-19-20-21-22(16)13-8-4-2-6-11(13)17/h2-9H,10H2,1H3,(H,18,23)
InChIKeyXIEQZAWMYSHGEB-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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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxyphenyl)acetamide (CID 1078050) is 2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)CSc1nnnn1-c1ccccc1F.
What is the InChIKey of 2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxyphenyl)acetamide?
The InChIKey is XIEQZAWMYSHGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O2S/c1-24-14-9-5-3-7-12(14)18-15(23)10-25-16-19-20-21-22(16)13-8-4-2-6-11(13)17/h2-9H,10H2,1H3,(H,18,23).
What are the key properties of 2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxyphenyl)acetamide?
2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(2-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-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 1078050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).