N'-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]-4-fluorobenzohydrazide

C18H17FN6O3S — CID 16536997

IUPACN'-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]-4-fluorobenzohydrazide
SMILESCCOc1ccccc1-n1nnnc1SCC(=O)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C18H17FN6O3S/c1-2-28-15-6-4-3-5-14(15)25-18(22-23-24-25)29-11-16(26)20-21-17(27)12-7-9-13(19)10-8-12/h3-10H,2,11H2,1H3,(H,20,26)(H,21,27)
InChIKeyIXLODAMBFATLQP-UHFFFAOYSA-N
MW416.44 g/mol
LogP1.75
Rot. Bonds7

About N'-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]-4-fluorobenzohydrazide

N'-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]-4-fluorobenzohydrazide (PubChem CID 16536997) has the molecular formula C18H17FN6O3S and a molecular weight of 416.44 g/mol. Its IUPAC name is N'-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]-4-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]-4-fluorobenzohydrazide
PubChem CID16536997
Molecular FormulaC18H17FN6O3S
Molecular Weight416.44 g/mol
Exact Mass416.11
IUPAC NameN'-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]-4-fluorobenzohydrazide
SMILESCCOc1ccccc1-n1nnnc1SCC(=O)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C18H17FN6O3S/c1-2-28-15-6-4-3-5-14(15)25-18(22-23-24-25)29-11-16(26)20-21-17(27)12-7-9-13(19)10-8-12/h3-10H,2,11H2,1H3,(H,20,26)(H,21,27)
InChIKeyIXLODAMBFATLQP-UHFFFAOYSA-N
XLogP1.75
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-(4-fluorophenyl)-2-oxoethyl] 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetate
CID 7903908
ethyl N-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]carbamate
CID 2632750
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
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
methyl 4-[[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylmethyl]benzoate
CID 2614039
2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 51306552
N-(2-benzoyl-4-chlorophenyl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 4802280
N-(4-fluorophenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 3587799
ethyl 4-[[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]butanoate
CID 16536992

Frequently Asked Questions

What is the IUPAC name of N'-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]-4-fluorobenzohydrazide?
The IUPAC name of N'-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]-4-fluorobenzohydrazide (CID 16536997) is N'-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]-4-fluorobenzohydrazide.
What is the SMILES notation for N'-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]-4-fluorobenzohydrazide?
The canonical SMILES for N'-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]-4-fluorobenzohydrazide is CCOc1ccccc1-n1nnnc1SCC(=O)NNC(=O)c1ccc(F)cc1.
What is the InChIKey of N'-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]-4-fluorobenzohydrazide?
The InChIKey is IXLODAMBFATLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN6O3S/c1-2-28-15-6-4-3-5-14(15)25-18(22-23-24-25)29-11-16(26)20-21-17(27)12-7-9-13(19)10-8-12/h3-10H,2,11H2,1H3,(H,20,26)(H,21,27).
What are the key properties of N'-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]-4-fluorobenzohydrazide?
N'-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]-4-fluorobenzohydrazide has a molecular weight of 416.44 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 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]-4-fluorobenzohydrazide is sourced from PubChem (CID 16536997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).