2-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenoxyethyl)acetamide

C12H15N5O2S — CID 8515097

IUPAC2-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenoxyethyl)acetamide
SMILESCn1nnnc1SCC(=O)NCCOc1ccccc1
InChIInChI=1S/C12H15N5O2S/c1-17-12(14-15-16-17)20-9-11(18)13-7-8-19-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,13,18)
InChIKeyUXNAZEODRNHJPQ-UHFFFAOYSA-N
MW293.35 g/mol
LogP0.50
Rot. Bonds7

About 2-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenoxyethyl)acetamide

2-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenoxyethyl)acetamide (PubChem CID 8515097) has the molecular formula C12H15N5O2S and a molecular weight of 293.35 g/mol. Its IUPAC name is 2-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenoxyethyl)acetamide.

Molecular Properties

Compound Name2-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenoxyethyl)acetamide
PubChem CID8515097
Molecular FormulaC12H15N5O2S
Molecular Weight293.35 g/mol
Exact Mass293.09
IUPAC Name2-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenoxyethyl)acetamide
SMILESCn1nnnc1SCC(=O)NCCOc1ccccc1
InChIInChI=1S/C12H15N5O2S/c1-17-12(14-15-16-17)20-9-11(18)13-7-8-19-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,13,18)
InChIKeyUXNAZEODRNHJPQ-UHFFFAOYSA-N
XLogP0.50
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenoxyethyl)acetamide?
The IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenoxyethyl)acetamide (CID 8515097) is 2-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenoxyethyl)acetamide.
What is the SMILES notation for 2-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenoxyethyl)acetamide?
The canonical SMILES for 2-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenoxyethyl)acetamide is Cn1nnnc1SCC(=O)NCCOc1ccccc1.
What is the InChIKey of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenoxyethyl)acetamide?
The InChIKey is UXNAZEODRNHJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2S/c1-17-12(14-15-16-17)20-9-11(18)13-7-8-19-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,13,18).
What are the key properties of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenoxyethyl)acetamide?
2-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenoxyethyl)acetamide has a molecular weight of 293.35 g/mol, XLogP of 0.50, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenoxyethyl)acetamide is sourced from PubChem (CID 8515097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).