N-cyclohexyl-N-ethyl-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide

C15H21N5O2S — CID 24632602

IUPACN-cyclohexyl-N-ethyl-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
SMILESCCN(C(=O)Cn1nnn(-c2cccs2)c1=O)C1CCCCC1
InChIInChI=1S/C15H21N5O2S/c1-2-18(12-7-4-3-5-8-12)13(21)11-19-15(22)20(17-16-19)14-9-6-10-23-14/h6,9-10,12H,2-5,7-8,11H2,1H3
InChIKeyBHJBYPUEPWPULZ-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.67
Rot. Bonds5

About N-cyclohexyl-N-ethyl-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide

N-cyclohexyl-N-ethyl-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide (PubChem CID 24632602) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
PubChem CID24632602
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC NameN-cyclohexyl-N-ethyl-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
SMILESCCN(C(=O)Cn1nnn(-c2cccs2)c1=O)C1CCCCC1
InChIInChI=1S/C15H21N5O2S/c1-2-18(12-7-4-3-5-8-12)13(21)11-19-15(22)20(17-16-19)14-9-6-10-23-14/h6,9-10,12H,2-5,7-8,11H2,1H3
InChIKeyBHJBYPUEPWPULZ-UHFFFAOYSA-N
XLogP1.67
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
The IUPAC name of N-cyclohexyl-N-ethyl-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide (CID 24632602) is N-cyclohexyl-N-ethyl-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide is CCN(C(=O)Cn1nnn(-c2cccs2)c1=O)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
The InChIKey is BHJBYPUEPWPULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-2-18(12-7-4-3-5-8-12)13(21)11-19-15(22)20(17-16-19)14-9-6-10-23-14/h6,9-10,12H,2-5,7-8,11H2,1H3.
What are the key properties of N-cyclohexyl-N-ethyl-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
N-cyclohexyl-N-ethyl-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide has a molecular weight of 335.43 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide is sourced from PubChem (CID 24632602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).