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

C16H14FN5OS — CID 16649455

IUPAC2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CSc1nnnn1-c1ccccc1F
InChIInChI=1S/C16H14FN5OS/c1-11-6-2-4-8-13(11)18-15(23)10-24-16-19-20-21-22(16)14-9-5-3-7-12(14)17/h2-9H,10H2,1H3,(H,18,23)
InChIKeyWLCYHQRNCQDXAV-UHFFFAOYSA-N
MW343.39 g/mol
LogP2.84
Rot. Bonds5

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

2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methylphenyl)acetamide (PubChem CID 16649455) has the molecular formula C16H14FN5OS and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methylphenyl)acetamide
PubChem CID16649455
Molecular FormulaC16H14FN5OS
Molecular Weight343.39 g/mol
Exact Mass343.09
IUPAC Name2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CSc1nnnn1-c1ccccc1F
InChIInChI=1S/C16H14FN5OS/c1-11-6-2-4-8-13(11)18-15(23)10-24-16-19-20-21-22(16)14-9-5-3-7-12(14)17/h2-9H,10H2,1H3,(H,18,23)
InChIKeyWLCYHQRNCQDXAV-UHFFFAOYSA-N
XLogP2.84
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methylphenyl)acetamide (CID 16649455) is 2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)CSc1nnnn1-c1ccccc1F.
What is the InChIKey of 2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methylphenyl)acetamide?
The InChIKey is WLCYHQRNCQDXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5OS/c1-11-6-2-4-8-13(11)18-15(23)10-24-16-19-20-21-22(16)14-9-5-3-7-12(14)17/h2-9H,10H2,1H3,(H,18,23).
What are the key properties of 2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methylphenyl)acetamide?
2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methylphenyl)acetamide has a molecular weight of 343.39 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 16649455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).