N-(2,6-diethylphenyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide

C17H19N5O2S — CID 17444231

IUPACN-(2,6-diethylphenyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
SMILESCCc1cccc(CC)c1NC(=O)Cn1nnn(-c2cccs2)c1=O
InChIInChI=1S/C17H19N5O2S/c1-3-12-7-5-8-13(4-2)16(12)18-14(23)11-21-17(24)22(20-19-21)15-9-6-10-25-15/h5-10H,3-4,11H2,1-2H3,(H,18,23)
InChIKeySAGBHGBNULHYAK-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.25
Rot. Bonds6

About N-(2,6-diethylphenyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide

N-(2,6-diethylphenyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide (PubChem CID 17444231) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
PubChem CID17444231
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC NameN-(2,6-diethylphenyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
SMILESCCc1cccc(CC)c1NC(=O)Cn1nnn(-c2cccs2)c1=O
InChIInChI=1S/C17H19N5O2S/c1-3-12-7-5-8-13(4-2)16(12)18-14(23)11-21-17(24)22(20-19-21)15-9-6-10-25-15/h5-10H,3-4,11H2,1-2H3,(H,18,23)
InChIKeySAGBHGBNULHYAK-UHFFFAOYSA-N
XLogP2.25
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1-methylpyrazol-3-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 18131426
N-(4-fluorophenyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 8006706
N-(2-bromo-4,6-difluorophenyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 39019473
2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 41401781
N-(2,5-dichlorophenyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 17478619
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 17454179
N-[(4-chlorophenyl)methyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 17444690
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 18289502
N-(4-methyl-2-oxochromen-7-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 16580683
2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)acetamide
CID 33081996
N-[1-(2,4-dichlorophenyl)ethyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 24581360
2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide
CID 24599967

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
The IUPAC name of N-(2,6-diethylphenyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide (CID 17444231) is N-(2,6-diethylphenyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
The canonical SMILES for N-(2,6-diethylphenyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide is CCc1cccc(CC)c1NC(=O)Cn1nnn(-c2cccs2)c1=O.
What is the InChIKey of N-(2,6-diethylphenyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
The InChIKey is SAGBHGBNULHYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S/c1-3-12-7-5-8-13(4-2)16(12)18-14(23)11-21-17(24)22(20-19-21)15-9-6-10-25-15/h5-10H,3-4,11H2,1-2H3,(H,18,23).
What are the key properties of N-(2,6-diethylphenyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
N-(2,6-diethylphenyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide has a molecular weight of 357.44 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide is sourced from PubChem (CID 17444231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).