phenacyl 3-(tetrazol-1-yl)thiophene-2-carboxylate

C14H10N4O3S — CID 46428094

IUPACphenacyl 3-(tetrazol-1-yl)thiophene-2-carboxylate
SMILESO=C(COC(=O)c1sccc1-n1cnnn1)c1ccccc1
InChIInChI=1S/C14H10N4O3S/c19-12(10-4-2-1-3-5-10)8-21-14(20)13-11(6-7-22-13)18-9-15-16-17-18/h1-7,9H,8H2
InChIKeyLUTZOVUUYIEHOV-UHFFFAOYSA-N
MW314.33 g/mol
LogP1.76
Rot. Bonds5

About phenacyl 3-(tetrazol-1-yl)thiophene-2-carboxylate

phenacyl 3-(tetrazol-1-yl)thiophene-2-carboxylate (PubChem CID 46428094) has the molecular formula C14H10N4O3S and a molecular weight of 314.33 g/mol. Its IUPAC name is phenacyl 3-(tetrazol-1-yl)thiophene-2-carboxylate.

Molecular Properties

Compound Namephenacyl 3-(tetrazol-1-yl)thiophene-2-carboxylate
PubChem CID46428094
Molecular FormulaC14H10N4O3S
Molecular Weight314.33 g/mol
Exact Mass314.05
IUPAC Namephenacyl 3-(tetrazol-1-yl)thiophene-2-carboxylate
SMILESO=C(COC(=O)c1sccc1-n1cnnn1)c1ccccc1
InChIInChI=1S/C14H10N4O3S/c19-12(10-4-2-1-3-5-10)8-21-14(20)13-11(6-7-22-13)18-9-15-16-17-18/h1-7,9H,8H2
InChIKeyLUTZOVUUYIEHOV-UHFFFAOYSA-N
XLogP1.76
TPSA86.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 3-(tetrazol-1-yl)thiophene-2-carboxylate
CID 46428081
[2-(2,5-dimethylphenyl)-2-oxoethyl] 3-(tetrazol-1-yl)thiophene-2-carboxylate
CID 46428060
[2-(2,3-dichloroanilino)-2-oxoethyl] 3-(tetrazol-1-yl)thiophene-2-carboxylate
CID 55644744
N-phenylmethoxy-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 60788006
[2-(4-methylsulfanylanilino)-2-oxoethyl] 3-(tetrazol-1-yl)thiophene-2-carboxylate
CID 154860819
2-(3-methylbutoxy)ethyl 3-(tetrazol-1-yl)thiophene-2-carboxylate
CID 60554745
ethyl 3-methyl-5-[[2-[3-(tetrazol-1-yl)thiophene-2-carbonyl]oxyacetyl]amino]thiophene-2-carboxylate
CID 55704881
[2-(4-bromo-3-methylanilino)-2-oxoethyl] 3-(tetrazol-1-yl)thiophene-2-carboxylate
CID 46428269
[2-[[(1R,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 3-(tetrazol-1-yl)thiophene-2-carboxylate
CID 98764714
[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 3-(tetrazol-1-yl)thiophene-2-carboxylate
CID 55704699
ethyl 5-ethyl-2-[[2-[3-(tetrazol-1-yl)thiophene-2-carbonyl]oxyacetyl]amino]thiophene-3-carboxylate
CID 55704821
[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-(tetrazol-1-yl)thiophene-2-carboxylate
CID 55705057

Frequently Asked Questions

What is the IUPAC name of phenacyl 3-(tetrazol-1-yl)thiophene-2-carboxylate?
The IUPAC name of phenacyl 3-(tetrazol-1-yl)thiophene-2-carboxylate (CID 46428094) is phenacyl 3-(tetrazol-1-yl)thiophene-2-carboxylate.
What is the SMILES notation for phenacyl 3-(tetrazol-1-yl)thiophene-2-carboxylate?
The canonical SMILES for phenacyl 3-(tetrazol-1-yl)thiophene-2-carboxylate is O=C(COC(=O)c1sccc1-n1cnnn1)c1ccccc1.
What is the InChIKey of phenacyl 3-(tetrazol-1-yl)thiophene-2-carboxylate?
The InChIKey is LUTZOVUUYIEHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O3S/c19-12(10-4-2-1-3-5-10)8-21-14(20)13-11(6-7-22-13)18-9-15-16-17-18/h1-7,9H,8H2.
What are the key properties of phenacyl 3-(tetrazol-1-yl)thiophene-2-carboxylate?
phenacyl 3-(tetrazol-1-yl)thiophene-2-carboxylate has a molecular weight of 314.33 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl 3-(tetrazol-1-yl)thiophene-2-carboxylate is sourced from PubChem (CID 46428094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).