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

C17H15FN6O2S — CID 1455241

IUPAC2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(2-fluorophenyl)acetamide
SMILESCC(=O)Nc1ccc(-n2nnnc2SCC(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C17H15FN6O2S/c1-11(25)19-12-6-8-13(9-7-12)24-17(21-22-23-24)27-10-16(26)20-15-5-3-2-4-14(15)18/h2-9H,10H2,1H3,(H,19,25)(H,20,26)
InChIKeyADIGDMJBHBWPSN-UHFFFAOYSA-N
MW386.41 g/mol
LogP2.49
Rot. Bonds6

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

2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(2-fluorophenyl)acetamide (PubChem CID 1455241) has the molecular formula C17H15FN6O2S and a molecular weight of 386.41 g/mol. Its IUPAC name is 2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(2-fluorophenyl)acetamide
PubChem CID1455241
Molecular FormulaC17H15FN6O2S
Molecular Weight386.41 g/mol
Exact Mass386.10
IUPAC Name2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(2-fluorophenyl)acetamide
SMILESCC(=O)Nc1ccc(-n2nnnc2SCC(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C17H15FN6O2S/c1-11(25)19-12-6-8-13(9-7-12)24-17(21-22-23-24)27-10-16(26)20-15-5-3-2-4-14(15)18/h2-9H,10H2,1H3,(H,19,25)(H,20,26)
InChIKeyADIGDMJBHBWPSN-UHFFFAOYSA-N
XLogP2.49
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(2-fluorophenyl)acetamide (CID 1455241) is 2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(2-fluorophenyl)acetamide is CC(=O)Nc1ccc(-n2nnnc2SCC(=O)Nc2ccccc2F)cc1.
What is the InChIKey of 2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(2-fluorophenyl)acetamide?
The InChIKey is ADIGDMJBHBWPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN6O2S/c1-11(25)19-12-6-8-13(9-7-12)24-17(21-22-23-24)27-10-16(26)20-15-5-3-2-4-14(15)18/h2-9H,10H2,1H3,(H,19,25)(H,20,26).
What are the key properties of 2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(2-fluorophenyl)acetamide?
2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(2-fluorophenyl)acetamide has a molecular weight of 386.41 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 1455241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).