2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-phenylacetamide

C16H15N5O2S — CID 865913

IUPAC2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-phenylacetamide
SMILESCOc1ccccc1-n1nnnc1SCC(=O)Nc1ccccc1
InChIInChI=1S/C16H15N5O2S/c1-23-14-10-6-5-9-13(14)21-16(18-19-20-21)24-11-15(22)17-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,17,22)
InChIKeyQYPMTHMFDAPXCS-UHFFFAOYSA-N
MW341.40 g/mol
LogP2.40
Rot. Bonds6

About 2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-phenylacetamide

2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-phenylacetamide (PubChem CID 865913) has the molecular formula C16H15N5O2S and a molecular weight of 341.40 g/mol. Its IUPAC name is 2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-phenylacetamide
PubChem CID865913
Molecular FormulaC16H15N5O2S
Molecular Weight341.40 g/mol
Exact Mass341.09
IUPAC Name2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-phenylacetamide
SMILESCOc1ccccc1-n1nnnc1SCC(=O)Nc1ccccc1
InChIInChI=1S/C16H15N5O2S/c1-23-14-10-6-5-9-13(14)21-16(18-19-20-21)24-11-15(22)17-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,17,22)
InChIKeyQYPMTHMFDAPXCS-UHFFFAOYSA-N
XLogP2.40
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-phenylacetamide?
The IUPAC name of 2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-phenylacetamide (CID 865913) is 2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-phenylacetamide.
What is the SMILES notation for 2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-phenylacetamide?
The canonical SMILES for 2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-phenylacetamide is COc1ccccc1-n1nnnc1SCC(=O)Nc1ccccc1.
What is the InChIKey of 2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-phenylacetamide?
The InChIKey is QYPMTHMFDAPXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2S/c1-23-14-10-6-5-9-13(14)21-16(18-19-20-21)24-11-15(22)17-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,17,22).
What are the key properties of 2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-phenylacetamide?
2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-phenylacetamide has a molecular weight of 341.40 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-phenylacetamide is sourced from PubChem (CID 865913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).