N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide

C14H20N6O3S — CID 24581318

IUPACN-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
SMILESCCN(CC(=O)NC(C)C)C(=O)Cn1nnn(-c2cccs2)c1=O
InChIInChI=1S/C14H20N6O3S/c1-4-18(8-11(21)15-10(2)3)12(22)9-19-14(23)20(17-16-19)13-6-5-7-24-13/h5-7,10H,4,8-9H2,1-3H3,(H,15,21)
InChIKeyQOYAQGJLUNONEI-UHFFFAOYSA-N
MW352.42 g/mol
LogP-0.14
Rot. Bonds7

About N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide

N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide (PubChem CID 24581318) has the molecular formula C14H20N6O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
PubChem CID24581318
Molecular FormulaC14H20N6O3S
Molecular Weight352.42 g/mol
Exact Mass352.13
IUPAC NameN-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
SMILESCCN(CC(=O)NC(C)C)C(=O)Cn1nnn(-c2cccs2)c1=O
InChIInChI=1S/C14H20N6O3S/c1-4-18(8-11(21)15-10(2)3)12(22)9-19-14(23)20(17-16-19)13-6-5-7-24-13/h5-7,10H,4,8-9H2,1-3H3,(H,15,21)
InChIKeyQOYAQGJLUNONEI-UHFFFAOYSA-N
XLogP-0.14
TPSA102.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
The IUPAC name of N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide (CID 24581318) is N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide.
What is the SMILES notation for N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
The canonical SMILES for N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide is CCN(CC(=O)NC(C)C)C(=O)Cn1nnn(-c2cccs2)c1=O.
What is the InChIKey of N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
The InChIKey is QOYAQGJLUNONEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O3S/c1-4-18(8-11(21)15-10(2)3)12(22)9-19-14(23)20(17-16-19)13-6-5-7-24-13/h5-7,10H,4,8-9H2,1-3H3,(H,15,21).
What are the key properties of N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide has a molecular weight of 352.42 g/mol, XLogP of -0.14, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide is sourced from PubChem (CID 24581318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).