N-methyl-2-[3-(tetrazol-1-yl)phenoxy]-N-(thiophen-2-ylmethyl)acetamide

C15H15N5O2S — CID 2565169

IUPACN-methyl-2-[3-(tetrazol-1-yl)phenoxy]-N-(thiophen-2-ylmethyl)acetamide
SMILESCN(Cc1cccs1)C(=O)COc1cccc(-n2cnnn2)c1
InChIInChI=1S/C15H15N5O2S/c1-19(9-14-6-3-7-23-14)15(21)10-22-13-5-2-4-12(8-13)20-11-16-17-18-20/h2-8,11H,9-10H2,1H3
InChIKeyIVMLBKLAPRPSJO-UHFFFAOYSA-N
MW329.38 g/mol
LogP1.76
Rot. Bonds6

About N-methyl-2-[3-(tetrazol-1-yl)phenoxy]-N-(thiophen-2-ylmethyl)acetamide

N-methyl-2-[3-(tetrazol-1-yl)phenoxy]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 2565169) has the molecular formula C15H15N5O2S and a molecular weight of 329.38 g/mol. Its IUPAC name is N-methyl-2-[3-(tetrazol-1-yl)phenoxy]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-[3-(tetrazol-1-yl)phenoxy]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID2565169
Molecular FormulaC15H15N5O2S
Molecular Weight329.38 g/mol
Exact Mass329.09
IUPAC NameN-methyl-2-[3-(tetrazol-1-yl)phenoxy]-N-(thiophen-2-ylmethyl)acetamide
SMILESCN(Cc1cccs1)C(=O)COc1cccc(-n2cnnn2)c1
InChIInChI=1S/C15H15N5O2S/c1-19(9-14-6-3-7-23-14)15(21)10-22-13-5-2-4-12(8-13)20-11-16-17-18-20/h2-8,11H,9-10H2,1H3
InChIKeyIVMLBKLAPRPSJO-UHFFFAOYSA-N
XLogP1.76
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-(tetrazol-1-yl)phenoxy]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-methyl-2-[3-(tetrazol-1-yl)phenoxy]-N-(thiophen-2-ylmethyl)acetamide (CID 2565169) is N-methyl-2-[3-(tetrazol-1-yl)phenoxy]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-methyl-2-[3-(tetrazol-1-yl)phenoxy]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-methyl-2-[3-(tetrazol-1-yl)phenoxy]-N-(thiophen-2-ylmethyl)acetamide is CN(Cc1cccs1)C(=O)COc1cccc(-n2cnnn2)c1.
What is the InChIKey of N-methyl-2-[3-(tetrazol-1-yl)phenoxy]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is IVMLBKLAPRPSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2S/c1-19(9-14-6-3-7-23-14)15(21)10-22-13-5-2-4-12(8-13)20-11-16-17-18-20/h2-8,11H,9-10H2,1H3.
What are the key properties of N-methyl-2-[3-(tetrazol-1-yl)phenoxy]-N-(thiophen-2-ylmethyl)acetamide?
N-methyl-2-[3-(tetrazol-1-yl)phenoxy]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 329.38 g/mol, XLogP of 1.76, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-(tetrazol-1-yl)phenoxy]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 2565169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).