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

C11H15N5O2S — CID 17450270

IUPACN-butan-2-yl-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
SMILESCCC(C)NC(=O)Cn1nnn(-c2cccs2)c1=O
InChIInChI=1S/C11H15N5O2S/c1-3-8(2)12-9(17)7-15-11(18)16(14-13-15)10-5-4-6-19-10/h4-6,8H,3,7H2,1-2H3,(H,12,17)
InChIKeyLCINBIKZQGAZGK-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.41
Rot. Bonds5

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

N-butan-2-yl-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide (PubChem CID 17450270) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is N-butan-2-yl-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
PubChem CID17450270
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC NameN-butan-2-yl-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
SMILESCCC(C)NC(=O)Cn1nnn(-c2cccs2)c1=O
InChIInChI=1S/C11H15N5O2S/c1-3-8(2)12-9(17)7-15-11(18)16(14-13-15)10-5-4-6-19-10/h4-6,8H,3,7H2,1-2H3,(H,12,17)
InChIKeyLCINBIKZQGAZGK-UHFFFAOYSA-N
XLogP0.41
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
The IUPAC name of N-butan-2-yl-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide (CID 17450270) is N-butan-2-yl-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
The canonical SMILES for N-butan-2-yl-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide is CCC(C)NC(=O)Cn1nnn(-c2cccs2)c1=O.
What is the InChIKey of N-butan-2-yl-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
The InChIKey is LCINBIKZQGAZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S/c1-3-8(2)12-9(17)7-15-11(18)16(14-13-15)10-5-4-6-19-10/h4-6,8H,3,7H2,1-2H3,(H,12,17).
What are the key properties of N-butan-2-yl-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
N-butan-2-yl-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide has a molecular weight of 281.34 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide is sourced from PubChem (CID 17450270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).