N-(3-acetamidophenyl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide

C17H15FN6O2S — CID 1449827

IUPACN-(3-acetamidophenyl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCC(=O)Nc1cccc(NC(=O)CSc2nnnn2-c2ccccc2F)c1
InChIInChI=1S/C17H15FN6O2S/c1-11(25)19-12-5-4-6-13(9-12)20-16(26)10-27-17-21-22-23-24(17)15-8-3-2-7-14(15)18/h2-9H,10H2,1H3,(H,19,25)(H,20,26)
InChIKeySOWUATRDPKLFML-UHFFFAOYSA-N
MW386.41 g/mol
LogP2.49
Rot. Bonds6

About N-(3-acetamidophenyl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide

N-(3-acetamidophenyl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 1449827) has the molecular formula C17H15FN6O2S and a molecular weight of 386.41 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID1449827
Molecular FormulaC17H15FN6O2S
Molecular Weight386.41 g/mol
Exact Mass386.10
IUPAC NameN-(3-acetamidophenyl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCC(=O)Nc1cccc(NC(=O)CSc2nnnn2-c2ccccc2F)c1
InChIInChI=1S/C17H15FN6O2S/c1-11(25)19-12-5-4-6-13(9-12)20-16(26)10-27-17-21-22-23-24(17)15-8-3-2-7-14(15)18/h2-9H,10H2,1H3,(H,19,25)(H,20,26)
InChIKeySOWUATRDPKLFML-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 N-(3-acetamidophenyl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide (CID 1449827) is N-(3-acetamidophenyl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide is CC(=O)Nc1cccc(NC(=O)CSc2nnnn2-c2ccccc2F)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is SOWUATRDPKLFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN6O2S/c1-11(25)19-12-5-4-6-13(9-12)20-16(26)10-27-17-21-22-23-24(17)15-8-3-2-7-14(15)18/h2-9H,10H2,1H3,(H,19,25)(H,20,26).
What are the key properties of N-(3-acetamidophenyl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide?
N-(3-acetamidophenyl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide 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 N-(3-acetamidophenyl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 1449827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).