methyl 4-[[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylmethyl]benzoate

C18H18N4O3S — CID 2614039

IUPACmethyl 4-[[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylmethyl]benzoate
SMILESCCOc1ccccc1-n1nnnc1SCc1ccc(C(=O)OC)cc1
InChIInChI=1S/C18H18N4O3S/c1-3-25-16-7-5-4-6-15(16)22-18(19-20-21-22)26-12-13-8-10-14(11-9-13)17(23)24-2/h4-11H,3,12H2,1-2H3
InChIKeyLCMVDNZUNVXXKC-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.14
Rot. Bonds7

About methyl 4-[[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylmethyl]benzoate

methyl 4-[[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylmethyl]benzoate (PubChem CID 2614039) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is methyl 4-[[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylmethyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylmethyl]benzoate
PubChem CID2614039
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Namemethyl 4-[[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylmethyl]benzoate
SMILESCCOc1ccccc1-n1nnnc1SCc1ccc(C(=O)OC)cc1
InChIInChI=1S/C18H18N4O3S/c1-3-25-16-7-5-4-6-15(16)22-18(19-20-21-22)26-12-13-8-10-14(11-9-13)17(23)24-2/h4-11H,3,12H2,1-2H3
InChIKeyLCMVDNZUNVXXKC-UHFFFAOYSA-N
XLogP3.14
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 4-[[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylmethyl]benzoate with MolForge

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Related Compounds

5-[(4-chlorophenyl)methylsulfanyl]-1-(2-ethoxyphenyl)tetrazole
CID 2614031
ethyl N-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]carbamate
CID 2632750
N'-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]-4-fluorobenzohydrazide
CID 16536997
N-(4-acetamidophenyl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 16537052
2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-prop-2-ynylacetamide
CID 26575544
N-(4-ethylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 3671100
2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(propylcarbamoyl)acetamide
CID 2613999
[2-(4-fluorophenyl)-2-oxoethyl] 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetate
CID 7903908
1-(azocan-1-yl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylethanone
CID 26575522
N-(2-chlorophenyl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2614104
5-[(3,4-diethoxyphenyl)methylsulfanyl]-1-(2-fluorophenyl)tetrazole
CID 1260803
2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-1-(4-methoxyphenyl)butan-1-one
CID 56528943

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylmethyl]benzoate?
The IUPAC name of methyl 4-[[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylmethyl]benzoate (CID 2614039) is methyl 4-[[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylmethyl]benzoate.
What is the SMILES notation for methyl 4-[[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylmethyl]benzoate?
The canonical SMILES for methyl 4-[[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylmethyl]benzoate is CCOc1ccccc1-n1nnnc1SCc1ccc(C(=O)OC)cc1.
What is the InChIKey of methyl 4-[[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylmethyl]benzoate?
The InChIKey is LCMVDNZUNVXXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-3-25-16-7-5-4-6-15(16)22-18(19-20-21-22)26-12-13-8-10-14(11-9-13)17(23)24-2/h4-11H,3,12H2,1-2H3.
What are the key properties of methyl 4-[[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylmethyl]benzoate?
methyl 4-[[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylmethyl]benzoate has a molecular weight of 370.43 g/mol, XLogP of 3.14, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylmethyl]benzoate is sourced from PubChem (CID 2614039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).