ethyl 3-methyl-5-[[2-[3-(tetrazol-1-yl)thiophene-2-carbonyl]oxyacetyl]amino]thiophene-2-carboxylate

C16H15N5O5S2 — CID 55704881

IUPACethyl 3-methyl-5-[[2-[3-(tetrazol-1-yl)thiophene-2-carbonyl]oxyacetyl]amino]thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)COC(=O)c2sccc2-n2cnnn2)cc1C
InChIInChI=1S/C16H15N5O5S2/c1-3-25-15(23)13-9(2)6-12(28-13)18-11(22)7-26-16(24)14-10(4-5-27-14)21-8-17-19-20-21/h4-6,8H,3,7H2,1-2H3,(H,18,22)
InChIKeyPNJKUBJFYODPLE-UHFFFAOYSA-N
MW421.46 g/mol
LogP2.07
Rot. Bonds7

About ethyl 3-methyl-5-[[2-[3-(tetrazol-1-yl)thiophene-2-carbonyl]oxyacetyl]amino]thiophene-2-carboxylate

ethyl 3-methyl-5-[[2-[3-(tetrazol-1-yl)thiophene-2-carbonyl]oxyacetyl]amino]thiophene-2-carboxylate (PubChem CID 55704881) has the molecular formula C16H15N5O5S2 and a molecular weight of 421.46 g/mol. Its IUPAC name is ethyl 3-methyl-5-[[2-[3-(tetrazol-1-yl)thiophene-2-carbonyl]oxyacetyl]amino]thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-5-[[2-[3-(tetrazol-1-yl)thiophene-2-carbonyl]oxyacetyl]amino]thiophene-2-carboxylate
PubChem CID55704881
Molecular FormulaC16H15N5O5S2
Molecular Weight421.46 g/mol
Exact Mass421.05
IUPAC Nameethyl 3-methyl-5-[[2-[3-(tetrazol-1-yl)thiophene-2-carbonyl]oxyacetyl]amino]thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)COC(=O)c2sccc2-n2cnnn2)cc1C
InChIInChI=1S/C16H15N5O5S2/c1-3-25-15(23)13-9(2)6-12(28-13)18-11(22)7-26-16(24)14-10(4-5-27-14)21-8-17-19-20-21/h4-6,8H,3,7H2,1-2H3,(H,18,22)
InChIKeyPNJKUBJFYODPLE-UHFFFAOYSA-N
XLogP2.07
TPSA125.30 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.46
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze ethyl 3-methyl-5-[[2-[3-(tetrazol-1-yl)thiophene-2-carbonyl]oxyacetyl]amino]thiophene-2-carboxylate with MolForge

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Related Compounds

ethyl 5-ethyl-2-[[2-[3-(tetrazol-1-yl)thiophene-2-carbonyl]oxyacetyl]amino]thiophene-3-carboxylate
CID 55704821
[2-(4-bromo-3-methylanilino)-2-oxoethyl] 3-(tetrazol-1-yl)thiophene-2-carboxylate
CID 46428269
[2-(4-methylsulfanylanilino)-2-oxoethyl] 3-(tetrazol-1-yl)thiophene-2-carboxylate
CID 154860819
[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-(tetrazol-1-yl)thiophene-2-carboxylate
CID 55705057
[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
[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 3-(tetrazol-1-yl)thiophene-2-carboxylate
CID 46428081
ethyl 5-[[2-[2-[(5-ethoxycarbonyl-4-methylthiophen-2-yl)amino]-2-oxoethoxy]acetyl]amino]-3-methylthiophene-2-carboxylate
CID 16832326
[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 3-(tetrazol-1-yl)thiophene-2-carboxylate
CID 52582743
[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 3-(tetrazol-1-yl)thiophene-2-carboxylate
CID 55704699
phenacyl 3-(tetrazol-1-yl)thiophene-2-carboxylate
CID 46428094
ethyl 5-[(2-ethoxyacetyl)amino]-3-methylthiophene-2-carboxylate
CID 43422858

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-5-[[2-[3-(tetrazol-1-yl)thiophene-2-carbonyl]oxyacetyl]amino]thiophene-2-carboxylate?
The IUPAC name of ethyl 3-methyl-5-[[2-[3-(tetrazol-1-yl)thiophene-2-carbonyl]oxyacetyl]amino]thiophene-2-carboxylate (CID 55704881) is ethyl 3-methyl-5-[[2-[3-(tetrazol-1-yl)thiophene-2-carbonyl]oxyacetyl]amino]thiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-methyl-5-[[2-[3-(tetrazol-1-yl)thiophene-2-carbonyl]oxyacetyl]amino]thiophene-2-carboxylate?
The canonical SMILES for ethyl 3-methyl-5-[[2-[3-(tetrazol-1-yl)thiophene-2-carbonyl]oxyacetyl]amino]thiophene-2-carboxylate is CCOC(=O)c1sc(NC(=O)COC(=O)c2sccc2-n2cnnn2)cc1C.
What is the InChIKey of ethyl 3-methyl-5-[[2-[3-(tetrazol-1-yl)thiophene-2-carbonyl]oxyacetyl]amino]thiophene-2-carboxylate?
The InChIKey is PNJKUBJFYODPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O5S2/c1-3-25-15(23)13-9(2)6-12(28-13)18-11(22)7-26-16(24)14-10(4-5-27-14)21-8-17-19-20-21/h4-6,8H,3,7H2,1-2H3,(H,18,22).
What are the key properties of ethyl 3-methyl-5-[[2-[3-(tetrazol-1-yl)thiophene-2-carbonyl]oxyacetyl]amino]thiophene-2-carboxylate?
ethyl 3-methyl-5-[[2-[3-(tetrazol-1-yl)thiophene-2-carbonyl]oxyacetyl]amino]thiophene-2-carboxylate has a molecular weight of 421.46 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-5-[[2-[3-(tetrazol-1-yl)thiophene-2-carbonyl]oxyacetyl]amino]thiophene-2-carboxylate is sourced from PubChem (CID 55704881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).