2-[4-(tetrazol-1-yl)phenyl]-N-(2-thiophen-2-ylethyl)acetamide

C15H15N5OS — CID 55600639

IUPAC2-[4-(tetrazol-1-yl)phenyl]-N-(2-thiophen-2-ylethyl)acetamide
SMILESO=C(Cc1ccc(-n2cnnn2)cc1)NCCc1cccs1
InChIInChI=1S/C15H15N5OS/c21-15(16-8-7-14-2-1-9-22-14)10-12-3-5-13(6-4-12)20-11-17-18-19-20/h1-6,9,11H,7-8,10H2,(H,16,21)
InChIKeyOOXABEUINZCMMM-UHFFFAOYSA-N
MW313.39 g/mol
LogP1.63
Rot. Bonds6

About 2-[4-(tetrazol-1-yl)phenyl]-N-(2-thiophen-2-ylethyl)acetamide

2-[4-(tetrazol-1-yl)phenyl]-N-(2-thiophen-2-ylethyl)acetamide (PubChem CID 55600639) has the molecular formula C15H15N5OS and a molecular weight of 313.39 g/mol. Its IUPAC name is 2-[4-(tetrazol-1-yl)phenyl]-N-(2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-[4-(tetrazol-1-yl)phenyl]-N-(2-thiophen-2-ylethyl)acetamide
PubChem CID55600639
Molecular FormulaC15H15N5OS
Molecular Weight313.39 g/mol
Exact Mass313.10
IUPAC Name2-[4-(tetrazol-1-yl)phenyl]-N-(2-thiophen-2-ylethyl)acetamide
SMILESO=C(Cc1ccc(-n2cnnn2)cc1)NCCc1cccs1
InChIInChI=1S/C15H15N5OS/c21-15(16-8-7-14-2-1-9-22-14)10-12-3-5-13(6-4-12)20-11-17-18-19-20/h1-6,9,11H,7-8,10H2,(H,16,21)
InChIKeyOOXABEUINZCMMM-UHFFFAOYSA-N
XLogP1.63
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(tetrazol-1-yl)-N-(3-thiophen-2-ylpropyl)benzamide
CID 171132793
N-[2-(2-fluorophenyl)ethyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55601437
N-(3,3-dimethylbutyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55656209
N-[3-(methylamino)propyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide;hydrochloride
CID 119433233
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-(tetrazol-1-yl)benzamide
CID 51087437
3-(tetrazol-1-yl)-N,N-bis(thiophen-2-ylmethyl)benzamide
CID 31838484
N-(furan-2-ylmethyl)-4-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 31834240
N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 50777053
2-[4-[acetyl(methyl)amino]phenyl]-N-(2-thiophen-2-ylethyl)acetamide
CID 110674862
5-chloro-2-methoxy-4-(tetrazol-1-yl)-N-(2-thiophen-2-ylethyl)benzamide
CID 87000680
2-hydroxy-N-(2-thiophen-2-ylethyl)acetamide
CID 13454159
2-[4-(tetrazol-1-yl)phenyl]-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide
CID 55632694

Frequently Asked Questions

What is the IUPAC name of 2-[4-(tetrazol-1-yl)phenyl]-N-(2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-[4-(tetrazol-1-yl)phenyl]-N-(2-thiophen-2-ylethyl)acetamide (CID 55600639) is 2-[4-(tetrazol-1-yl)phenyl]-N-(2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-[4-(tetrazol-1-yl)phenyl]-N-(2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-[4-(tetrazol-1-yl)phenyl]-N-(2-thiophen-2-ylethyl)acetamide is O=C(Cc1ccc(-n2cnnn2)cc1)NCCc1cccs1.
What is the InChIKey of 2-[4-(tetrazol-1-yl)phenyl]-N-(2-thiophen-2-ylethyl)acetamide?
The InChIKey is OOXABEUINZCMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS/c21-15(16-8-7-14-2-1-9-22-14)10-12-3-5-13(6-4-12)20-11-17-18-19-20/h1-6,9,11H,7-8,10H2,(H,16,21).
What are the key properties of 2-[4-(tetrazol-1-yl)phenyl]-N-(2-thiophen-2-ylethyl)acetamide?
2-[4-(tetrazol-1-yl)phenyl]-N-(2-thiophen-2-ylethyl)acetamide has a molecular weight of 313.39 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(tetrazol-1-yl)phenyl]-N-(2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 55600639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).