N-(2-ethylbutyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide

C13H19N5OS — CID 115612942

IUPACN-(2-ethylbutyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
SMILESCCC(CC)CNC(=O)Cn1nnc(-c2ccsc2)n1
InChIInChI=1S/C13H19N5OS/c1-3-10(4-2)7-14-12(19)8-18-16-13(15-17-18)11-5-6-20-9-11/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,14,19)
InChIKeyKUINGRROVLZEIB-UHFFFAOYSA-N
MW293.40 g/mol
LogP1.95
Rot. Bonds7

About N-(2-ethylbutyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide

N-(2-ethylbutyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide (PubChem CID 115612942) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is N-(2-ethylbutyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-ethylbutyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
PubChem CID115612942
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC NameN-(2-ethylbutyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
SMILESCCC(CC)CNC(=O)Cn1nnc(-c2ccsc2)n1
InChIInChI=1S/C13H19N5OS/c1-3-10(4-2)7-14-12(19)8-18-16-13(15-17-18)11-5-6-20-9-11/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,14,19)
InChIKeyKUINGRROVLZEIB-UHFFFAOYSA-N
XLogP1.95
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-4-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]butanoic acid
CID 81065022
N-(2-hydroxyethyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 43416200
N-methoxy-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 60709492
N-[(E)-pent-3-enyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 115628398
N-(5-hydroxy-4-methylpentyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 103862002
N-(5-hydroxypentyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 107318628
4-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]butanoic acid
CID 43245246
N-[(1R)-1-(4-ethylphenyl)ethyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 9128343
methyl 4-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]benzoate
CID 9128050
N-(4-fluorophenyl)-2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]acetamide
CID 9128274
N-(2,3-dimethylphenyl)-2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]acetamide
CID 9128261
2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]oxyacetic acid
CID 63912512

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide?
The IUPAC name of N-(2-ethylbutyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide (CID 115612942) is N-(2-ethylbutyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide.
What is the SMILES notation for N-(2-ethylbutyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide?
The canonical SMILES for N-(2-ethylbutyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide is CCC(CC)CNC(=O)Cn1nnc(-c2ccsc2)n1.
What is the InChIKey of N-(2-ethylbutyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide?
The InChIKey is KUINGRROVLZEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-3-10(4-2)7-14-12(19)8-18-16-13(15-17-18)11-5-6-20-9-11/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,14,19).
What are the key properties of N-(2-ethylbutyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide?
N-(2-ethylbutyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide has a molecular weight of 293.40 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide is sourced from PubChem (CID 115612942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).