2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-methylsulfanylphenyl)acetamide

C16H14FN5OS — CID 7491301

IUPAC2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)Cn1nnc(-c2cccc(F)c2)n1
InChIInChI=1S/C16H14FN5OS/c1-24-14-8-3-2-7-13(14)18-15(23)10-22-20-16(19-21-22)11-5-4-6-12(17)9-11/h2-9H,10H2,1H3,(H,18,23)
InChIKeyFQKVOSNUBDIRKI-UHFFFAOYSA-N
MW343.39 g/mol
LogP2.84
Rot. Bonds5

About 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-methylsulfanylphenyl)acetamide

2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-methylsulfanylphenyl)acetamide (PubChem CID 7491301) has the molecular formula C16H14FN5OS and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-methylsulfanylphenyl)acetamide
PubChem CID7491301
Molecular FormulaC16H14FN5OS
Molecular Weight343.39 g/mol
Exact Mass343.09
IUPAC Name2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)Cn1nnc(-c2cccc(F)c2)n1
InChIInChI=1S/C16H14FN5OS/c1-24-14-8-3-2-7-13(14)18-15(23)10-22-20-16(19-21-22)11-5-4-6-12(17)9-11/h2-9H,10H2,1H3,(H,18,23)
InChIKeyFQKVOSNUBDIRKI-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-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-methylsulfanylphenyl)acetamide (CID 7491301) is 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-methylsulfanylphenyl)acetamide is CSc1ccccc1NC(=O)Cn1nnc(-c2cccc(F)c2)n1.
What is the InChIKey of 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-methylsulfanylphenyl)acetamide?
The InChIKey is FQKVOSNUBDIRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5OS/c1-24-14-8-3-2-7-13(14)18-15(23)10-22-20-16(19-21-22)11-5-4-6-12(17)9-11/h2-9H,10H2,1H3,(H,18,23).
What are the key properties of 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-methylsulfanylphenyl)acetamide?
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-methylsulfanylphenyl)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-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 7491301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).