N-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]-2-phenylacetamide

C19H19N5O3S — CID 25163152

IUPACN-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]-2-phenylacetamide
SMILESCCOc1ccccc1-n1nnnc1SCC(=O)NC(=O)Cc1ccccc1
InChIInChI=1S/C19H19N5O3S/c1-2-27-16-11-7-6-10-15(16)24-19(21-22-23-24)28-13-18(26)20-17(25)12-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3,(H,20,25,26)
InChIKeyAKIVWVCYRVTEJN-UHFFFAOYSA-N
MW397.46 g/mol
LogP2.04
Rot. Bonds8

About N-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]-2-phenylacetamide

N-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]-2-phenylacetamide (PubChem CID 25163152) has the molecular formula C19H19N5O3S and a molecular weight of 397.46 g/mol. Its IUPAC name is N-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]-2-phenylacetamide
PubChem CID25163152
Molecular FormulaC19H19N5O3S
Molecular Weight397.46 g/mol
Exact Mass397.12
IUPAC NameN-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]-2-phenylacetamide
SMILESCCOc1ccccc1-n1nnnc1SCC(=O)NC(=O)Cc1ccccc1
InChIInChI=1S/C19H19N5O3S/c1-2-27-16-11-7-6-10-15(16)24-19(21-22-23-24)28-13-18(26)20-17(25)12-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3,(H,20,25,26)
InChIKeyAKIVWVCYRVTEJN-UHFFFAOYSA-N
XLogP2.04
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]-2-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 N-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]-2-phenylacetamide?
The IUPAC name of N-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]-2-phenylacetamide (CID 25163152) is N-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]-2-phenylacetamide?
The canonical SMILES for N-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]-2-phenylacetamide is CCOc1ccccc1-n1nnnc1SCC(=O)NC(=O)Cc1ccccc1.
What is the InChIKey of N-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]-2-phenylacetamide?
The InChIKey is AKIVWVCYRVTEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3S/c1-2-27-16-11-7-6-10-15(16)24-19(21-22-23-24)28-13-18(26)20-17(25)12-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3,(H,20,25,26).
What are the key properties of N-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]-2-phenylacetamide?
N-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]-2-phenylacetamide has a molecular weight of 397.46 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]-2-phenylacetamide is sourced from PubChem (CID 25163152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).