ethyl 5-ethyl-4-methyl-2-[[2-[3-(tetrazol-1-yl)phenoxy]acetyl]amino]thiophene-3-carboxylate

C19H21N5O4S — CID 7768765

IUPACethyl 5-ethyl-4-methyl-2-[[2-[3-(tetrazol-1-yl)phenoxy]acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)COc2cccc(-n3cnnn3)c2)sc(CC)c1C
InChIInChI=1S/C19H21N5O4S/c1-4-15-12(3)17(19(26)27-5-2)18(29-15)21-16(25)10-28-14-8-6-7-13(9-14)24-11-20-22-23-24/h6-9,11H,4-5,10H2,1-3H3,(H,21,25)
InChIKeyINMIWMPZRMDYAF-UHFFFAOYSA-N
MW415.48 g/mol
LogP2.79
Rot. Bonds8

About ethyl 5-ethyl-4-methyl-2-[[2-[3-(tetrazol-1-yl)phenoxy]acetyl]amino]thiophene-3-carboxylate

ethyl 5-ethyl-4-methyl-2-[[2-[3-(tetrazol-1-yl)phenoxy]acetyl]amino]thiophene-3-carboxylate (PubChem CID 7768765) has the molecular formula C19H21N5O4S and a molecular weight of 415.48 g/mol. Its IUPAC name is ethyl 5-ethyl-4-methyl-2-[[2-[3-(tetrazol-1-yl)phenoxy]acetyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethyl-4-methyl-2-[[2-[3-(tetrazol-1-yl)phenoxy]acetyl]amino]thiophene-3-carboxylate
PubChem CID7768765
Molecular FormulaC19H21N5O4S
Molecular Weight415.48 g/mol
Exact Mass415.13
IUPAC Nameethyl 5-ethyl-4-methyl-2-[[2-[3-(tetrazol-1-yl)phenoxy]acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)COc2cccc(-n3cnnn3)c2)sc(CC)c1C
InChIInChI=1S/C19H21N5O4S/c1-4-15-12(3)17(19(26)27-5-2)18(29-15)21-16(25)10-28-14-8-6-7-13(9-14)24-11-20-22-23-24/h6-9,11H,4-5,10H2,1-3H3,(H,21,25)
InChIKeyINMIWMPZRMDYAF-UHFFFAOYSA-N
XLogP2.79
TPSA108.23 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

ethyl 2-[[2-(3-acetamidophenoxy)acetyl]amino]-5-ethyl-4-methylthiophene-3-carboxylate
CID 7698351
N-(2-ethyl-6-methylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 864038
ethyl 2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-5-ethyl-4-methylthiophene-3-carboxylate
CID 7794752
N-(5-chloro-2-methylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 856533
ethyl 4,5-dimethyl-2-[[(E)-3-[3-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]thiophene-3-carboxylate
CID 16652470
diethyl 3-methyl-5-[[2-(3-methylphenoxy)acetyl]amino]thiophene-2,4-dicarboxylate
CID 1112453
N-(3-cyanophenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 2709073
N-[4-(4-methylphenoxy)phenyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 7769112
2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 1140135
ethyl 5-ethyl-4-methyl-2-[(2-naphthalen-1-yloxyacetyl)amino]thiophene-3-carboxylate
CID 7860210
[2-[(3-ethoxycarbonyl-5-ethyl-4-methylthiophen-2-yl)amino]-2-oxoethyl] pyridine-3-carboxylate
CID 9413764
N-(2-methyl-6-propan-2-ylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 7769056

Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethyl-4-methyl-2-[[2-[3-(tetrazol-1-yl)phenoxy]acetyl]amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 5-ethyl-4-methyl-2-[[2-[3-(tetrazol-1-yl)phenoxy]acetyl]amino]thiophene-3-carboxylate (CID 7768765) is ethyl 5-ethyl-4-methyl-2-[[2-[3-(tetrazol-1-yl)phenoxy]acetyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 5-ethyl-4-methyl-2-[[2-[3-(tetrazol-1-yl)phenoxy]acetyl]amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 5-ethyl-4-methyl-2-[[2-[3-(tetrazol-1-yl)phenoxy]acetyl]amino]thiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)COc2cccc(-n3cnnn3)c2)sc(CC)c1C.
What is the InChIKey of ethyl 5-ethyl-4-methyl-2-[[2-[3-(tetrazol-1-yl)phenoxy]acetyl]amino]thiophene-3-carboxylate?
The InChIKey is INMIWMPZRMDYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O4S/c1-4-15-12(3)17(19(26)27-5-2)18(29-15)21-16(25)10-28-14-8-6-7-13(9-14)24-11-20-22-23-24/h6-9,11H,4-5,10H2,1-3H3,(H,21,25).
What are the key properties of ethyl 5-ethyl-4-methyl-2-[[2-[3-(tetrazol-1-yl)phenoxy]acetyl]amino]thiophene-3-carboxylate?
ethyl 5-ethyl-4-methyl-2-[[2-[3-(tetrazol-1-yl)phenoxy]acetyl]amino]thiophene-3-carboxylate has a molecular weight of 415.48 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethyl-4-methyl-2-[[2-[3-(tetrazol-1-yl)phenoxy]acetyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 7768765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).