N-(2-ethoxyphenyl)-2-[1-[2-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanylacetamide

C18H16F3N5O2S — CID 16956059

IUPACN-(2-ethoxyphenyl)-2-[1-[2-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanylacetamide
SMILESCCOc1ccccc1NC(=O)CSc1nnnn1-c1ccccc1C(F)(F)F
InChIInChI=1S/C18H16F3N5O2S/c1-2-28-15-10-6-4-8-13(15)22-16(27)11-29-17-23-24-25-26(17)14-9-5-3-7-12(14)18(19,20)21/h3-10H,2,11H2,1H3,(H,22,27)
InChIKeyOMZGSZNEDDCFNY-UHFFFAOYSA-N
MW423.42 g/mol
LogP3.81
Rot. Bonds7

About N-(2-ethoxyphenyl)-2-[1-[2-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanylacetamide

N-(2-ethoxyphenyl)-2-[1-[2-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanylacetamide (PubChem CID 16956059) has the molecular formula C18H16F3N5O2S and a molecular weight of 423.42 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-[1-[2-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-[1-[2-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanylacetamide
PubChem CID16956059
Molecular FormulaC18H16F3N5O2S
Molecular Weight423.42 g/mol
Exact Mass423.10
IUPAC NameN-(2-ethoxyphenyl)-2-[1-[2-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanylacetamide
SMILESCCOc1ccccc1NC(=O)CSc1nnnn1-c1ccccc1C(F)(F)F
InChIInChI=1S/C18H16F3N5O2S/c1-2-28-15-10-6-4-8-13(15)22-16(27)11-29-17-23-24-25-26(17)14-9-5-3-7-12(14)18(19,20)21/h3-10H,2,11H2,1H3,(H,22,27)
InChIKeyOMZGSZNEDDCFNY-UHFFFAOYSA-N
XLogP3.81
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.42
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-[1-[2-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-[1-[2-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanylacetamide (CID 16956059) is N-(2-ethoxyphenyl)-2-[1-[2-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-[1-[2-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-[1-[2-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanylacetamide is CCOc1ccccc1NC(=O)CSc1nnnn1-c1ccccc1C(F)(F)F.
What is the InChIKey of N-(2-ethoxyphenyl)-2-[1-[2-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanylacetamide?
The InChIKey is OMZGSZNEDDCFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5O2S/c1-2-28-15-10-6-4-8-13(15)22-16(27)11-29-17-23-24-25-26(17)14-9-5-3-7-12(14)18(19,20)21/h3-10H,2,11H2,1H3,(H,22,27).
What are the key properties of N-(2-ethoxyphenyl)-2-[1-[2-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanylacetamide?
N-(2-ethoxyphenyl)-2-[1-[2-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanylacetamide has a molecular weight of 423.42 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-[1-[2-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 16956059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).