[2-(4-fluorophenyl)-2-oxoethyl] 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetate

C19H17FN4O4S — CID 7903908

IUPAC[2-(4-fluorophenyl)-2-oxoethyl] 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetate
SMILESCCOc1ccccc1-n1nnnc1SCC(=O)OCC(=O)c1ccc(F)cc1
InChIInChI=1S/C19H17FN4O4S/c1-2-27-17-6-4-3-5-15(17)24-19(21-22-23-24)29-12-18(26)28-11-16(25)13-7-9-14(20)10-8-13/h3-10H,2,11-12H2,1H3
InChIKeyZLVDYPLBQLMJTG-UHFFFAOYSA-N
MW416.43 g/mol
LogP2.72
Rot. Bonds9

About [2-(4-fluorophenyl)-2-oxoethyl] 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetate

[2-(4-fluorophenyl)-2-oxoethyl] 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetate (PubChem CID 7903908) has the molecular formula C19H17FN4O4S and a molecular weight of 416.43 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-2-oxoethyl] 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-2-oxoethyl] 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetate
PubChem CID7903908
Molecular FormulaC19H17FN4O4S
Molecular Weight416.43 g/mol
Exact Mass416.10
IUPAC Name[2-(4-fluorophenyl)-2-oxoethyl] 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetate
SMILESCCOc1ccccc1-n1nnnc1SCC(=O)OCC(=O)c1ccc(F)cc1
InChIInChI=1S/C19H17FN4O4S/c1-2-27-17-6-4-3-5-15(17)24-19(21-22-23-24)29-12-18(26)28-11-16(25)13-7-9-14(20)10-8-13/h3-10H,2,11-12H2,1H3
InChIKeyZLVDYPLBQLMJTG-UHFFFAOYSA-N
XLogP2.72
TPSA96.20 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

N'-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]-4-fluorobenzohydrazide
CID 16536997
ethyl N-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]carbamate
CID 2632750
methyl 4-[[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylmethyl]benzoate
CID 2614039
1-(azocan-1-yl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylethanone
CID 26575522
ethyl 4-[[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]butanoate
CID 16536992
2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-prop-2-ynylacetamide
CID 26575544
N-(4-acetamidophenyl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 16537052
(2S)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 7459177
2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-[(2-fluorophenyl)carbamoyl]acetamide
CID 16536987
2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(propylcarbamoyl)acetamide
CID 2613999
N-(2-chlorophenyl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2614104
1-(4-chlorophenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylethanone
CID 3537880

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-2-oxoethyl] 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetate?
The IUPAC name of [2-(4-fluorophenyl)-2-oxoethyl] 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetate (CID 7903908) is [2-(4-fluorophenyl)-2-oxoethyl] 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetate.
What is the SMILES notation for [2-(4-fluorophenyl)-2-oxoethyl] 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetate?
The canonical SMILES for [2-(4-fluorophenyl)-2-oxoethyl] 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetate is CCOc1ccccc1-n1nnnc1SCC(=O)OCC(=O)c1ccc(F)cc1.
What is the InChIKey of [2-(4-fluorophenyl)-2-oxoethyl] 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetate?
The InChIKey is ZLVDYPLBQLMJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O4S/c1-2-27-17-6-4-3-5-15(17)24-19(21-22-23-24)29-12-18(26)28-11-16(25)13-7-9-14(20)10-8-13/h3-10H,2,11-12H2,1H3.
What are the key properties of [2-(4-fluorophenyl)-2-oxoethyl] 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetate?
[2-(4-fluorophenyl)-2-oxoethyl] 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetate has a molecular weight of 416.43 g/mol, XLogP of 2.72, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-2-oxoethyl] 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetate is sourced from PubChem (CID 7903908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).