N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]-2-thiophen-2-ylacetamide

C11H12N4O2S — CID 51106847

IUPACN-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCC(=O)Nc1cn[nH]c1
InChIInChI=1S/C11H12N4O2S/c16-10(4-9-2-1-3-18-9)12-7-11(17)15-8-5-13-14-6-8/h1-3,5-6H,4,7H2,(H,12,16)(H,13,14)(H,15,17)
InChIKeyNTKZWGPWVWLUCA-UHFFFAOYSA-N
MW264.31 g/mol
LogP0.77
Rot. Bonds5

About N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]-2-thiophen-2-ylacetamide

N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]-2-thiophen-2-ylacetamide (PubChem CID 51106847) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]-2-thiophen-2-ylacetamide
PubChem CID51106847
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC NameN-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCC(=O)Nc1cn[nH]c1
InChIInChI=1S/C11H12N4O2S/c16-10(4-9-2-1-3-18-9)12-7-11(17)15-8-5-13-14-6-8/h1-3,5-6H,4,7H2,(H,12,16)(H,13,14)(H,15,17)
InChIKeyNTKZWGPWVWLUCA-UHFFFAOYSA-N
XLogP0.77
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]-2-thiophen-2-ylacetamide (CID 51106847) is N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NCC(=O)Nc1cn[nH]c1.
What is the InChIKey of N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]-2-thiophen-2-ylacetamide?
The InChIKey is NTKZWGPWVWLUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c16-10(4-9-2-1-3-18-9)12-7-11(17)15-8-5-13-14-6-8/h1-3,5-6H,4,7H2,(H,12,16)(H,13,14)(H,15,17).
What are the key properties of N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]-2-thiophen-2-ylacetamide?
N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]-2-thiophen-2-ylacetamide has a molecular weight of 264.31 g/mol, XLogP of 0.77, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 51106847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).