ethyl 2-[[4-[2-[(5-methylpyrazin-2-yl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]acetate

C17H19N7O4S — CID 137499982

IUPACethyl 2-[[4-[2-[(5-methylpyrazin-2-yl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]acetate
SMILESCCOC(=O)CNS(=O)(=O)c1ccc(-c2nnn(Cc3cnc(C)cn3)n2)cc1
InChIInChI=1S/C17H19N7O4S/c1-3-28-16(25)10-20-29(26,27)15-6-4-13(5-7-15)17-21-23-24(22-17)11-14-9-18-12(2)8-19-14/h4-9,20H,3,10-11H2,1-2H3
InChIKeyHTARIDKOPHRTGX-UHFFFAOYSA-N
MW417.45 g/mol
LogP0.33
Rot. Bonds8

About ethyl 2-[[4-[2-[(5-methylpyrazin-2-yl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]acetate

ethyl 2-[[4-[2-[(5-methylpyrazin-2-yl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]acetate (PubChem CID 137499982) has the molecular formula C17H19N7O4S and a molecular weight of 417.45 g/mol. Its IUPAC name is ethyl 2-[[4-[2-[(5-methylpyrazin-2-yl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[4-[2-[(5-methylpyrazin-2-yl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]acetate
PubChem CID137499982
Molecular FormulaC17H19N7O4S
Molecular Weight417.45 g/mol
Exact Mass417.12
IUPAC Nameethyl 2-[[4-[2-[(5-methylpyrazin-2-yl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]acetate
SMILESCCOC(=O)CNS(=O)(=O)c1ccc(-c2nnn(Cc3cnc(C)cn3)n2)cc1
InChIInChI=1S/C17H19N7O4S/c1-3-28-16(25)10-20-29(26,27)15-6-4-13(5-7-15)17-21-23-24(22-17)11-14-9-18-12(2)8-19-14/h4-9,20H,3,10-11H2,1-2H3
InChIKeyHTARIDKOPHRTGX-UHFFFAOYSA-N
XLogP0.33
TPSA141.85 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.45
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

4-[2-[(4-ethylphenyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)benzenesulfonamide
CID 137499872
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CID 60817086
ethyl 2-[[4-(1-aminoethyl)phenyl]sulfonylamino]acetate
CID 54921028
ethyl 2-[[4-(2-methylpropoxy)phenyl]sulfonylamino]acetate
CID 60817579
2-[[4-[amino-[2-amino-2-[(5-methylpyrazin-2-yl)methyl]hydrazinyl]methyl]phenyl]sulfonylamino]acetamide
CID 156509941
ethyl 2-[5-(2-aminopyrimidin-5-yl)tetrazol-2-yl]acetate
CID 58042951
ethyl 3-[5-(4-formylphenyl)tetrazol-2-yl]propanoate
CID 23559158
ethyl 2-[[4-(ethylsulfamoyl)benzoyl]amino]acetate
CID 60812284
cyanomethyl N-[4-[2-[(6-methoxy-3-pyridinyl)methyl]tetrazol-5-yl]phenyl]sulfonylcarbamate
CID 137499964
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 2645845
2-[[6-(aminomethyl)-3-pyridinyl]sulfonylamino]-N,N-diethylacetamide
CID 114613706
(4-methylphenyl) 2-[(4-ethoxyphenyl)sulfonylamino]acetate
CID 110670646

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-[2-[(5-methylpyrazin-2-yl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]acetate?
The IUPAC name of ethyl 2-[[4-[2-[(5-methylpyrazin-2-yl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]acetate (CID 137499982) is ethyl 2-[[4-[2-[(5-methylpyrazin-2-yl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]acetate.
What is the SMILES notation for ethyl 2-[[4-[2-[(5-methylpyrazin-2-yl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]acetate?
The canonical SMILES for ethyl 2-[[4-[2-[(5-methylpyrazin-2-yl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]acetate is CCOC(=O)CNS(=O)(=O)c1ccc(-c2nnn(Cc3cnc(C)cn3)n2)cc1.
What is the InChIKey of ethyl 2-[[4-[2-[(5-methylpyrazin-2-yl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]acetate?
The InChIKey is HTARIDKOPHRTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O4S/c1-3-28-16(25)10-20-29(26,27)15-6-4-13(5-7-15)17-21-23-24(22-17)11-14-9-18-12(2)8-19-14/h4-9,20H,3,10-11H2,1-2H3.
What are the key properties of ethyl 2-[[4-[2-[(5-methylpyrazin-2-yl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]acetate?
ethyl 2-[[4-[2-[(5-methylpyrazin-2-yl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]acetate has a molecular weight of 417.45 g/mol, XLogP of 0.33, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-[2-[(5-methylpyrazin-2-yl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]acetate is sourced from PubChem (CID 137499982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).