N-[(1R)-1-thiophen-2-ylethyl]-2-[2-(1H-1,2,4-triazol-5-yl)phenoxy]acetamide

C16H16N4O2S — CID 97089284

IUPACN-[(1R)-1-thiophen-2-ylethyl]-2-[2-(1H-1,2,4-triazol-5-yl)phenoxy]acetamide
SMILESC[C@@H](NC(=O)COc1ccccc1-c1ncn[nH]1)c1cccs1
InChIInChI=1S/C16H16N4O2S/c1-11(14-7-4-8-23-14)19-15(21)9-22-13-6-3-2-5-12(13)16-17-10-18-20-16/h2-8,10-11H,9H2,1H3,(H,19,21)(H,17,18,20)/t11-/m1/s1
InChIKeyOZQNRTDURJLDDM-LLVKDONJSA-N
MW328.40 g/mol
LogP2.79
Rot. Bonds6

About N-[(1R)-1-thiophen-2-ylethyl]-2-[2-(1H-1,2,4-triazol-5-yl)phenoxy]acetamide

N-[(1R)-1-thiophen-2-ylethyl]-2-[2-(1H-1,2,4-triazol-5-yl)phenoxy]acetamide (PubChem CID 97089284) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is N-[(1R)-1-thiophen-2-ylethyl]-2-[2-(1H-1,2,4-triazol-5-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-thiophen-2-ylethyl]-2-[2-(1H-1,2,4-triazol-5-yl)phenoxy]acetamide
PubChem CID97089284
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC NameN-[(1R)-1-thiophen-2-ylethyl]-2-[2-(1H-1,2,4-triazol-5-yl)phenoxy]acetamide
SMILESC[C@@H](NC(=O)COc1ccccc1-c1ncn[nH]1)c1cccs1
InChIInChI=1S/C16H16N4O2S/c1-11(14-7-4-8-23-14)19-15(21)9-22-13-6-3-2-5-12(13)16-17-10-18-20-16/h2-8,10-11H,9H2,1H3,(H,19,21)(H,17,18,20)/t11-/m1/s1
InChIKeyOZQNRTDURJLDDM-LLVKDONJSA-N
XLogP2.79
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1R)-1-thiophen-2-ylethyl]-2-[2-(1H-1,2,4-triazol-5-yl)phenoxy]acetamide with MolForge

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Related Compounds

2-(2-ethoxyphenoxy)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 7918077
2-(2-propan-2-ylphenoxy)-N-(1-thiophen-2-ylethyl)acetamide
CID 45154352
2-(2-bromophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 7847611
2-(2-acetamidophenoxy)-N-(1-thiophen-2-ylethyl)acetamide
CID 17401958
2-(2-cyanophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 7742348
2-(2-ethoxyphenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 103716236
2-(2,4-difluorophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 31849974
N-[(1S)-1-thiophen-2-ylethyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 40701155
2-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethoxy]-N-phenylbenzamide
CID 40616574
N-[(1S)-1-thiophen-2-ylethyl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 7918061
N-(3,4-dimethylphenyl)-2-[2-(1H-1,2,4-triazol-5-yl)phenoxy]acetamide
CID 71844202
2-(2,5-dimethylphenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 8910471

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-thiophen-2-ylethyl]-2-[2-(1H-1,2,4-triazol-5-yl)phenoxy]acetamide?
The IUPAC name of N-[(1R)-1-thiophen-2-ylethyl]-2-[2-(1H-1,2,4-triazol-5-yl)phenoxy]acetamide (CID 97089284) is N-[(1R)-1-thiophen-2-ylethyl]-2-[2-(1H-1,2,4-triazol-5-yl)phenoxy]acetamide.
What is the SMILES notation for N-[(1R)-1-thiophen-2-ylethyl]-2-[2-(1H-1,2,4-triazol-5-yl)phenoxy]acetamide?
The canonical SMILES for N-[(1R)-1-thiophen-2-ylethyl]-2-[2-(1H-1,2,4-triazol-5-yl)phenoxy]acetamide is C[C@@H](NC(=O)COc1ccccc1-c1ncn[nH]1)c1cccs1.
What is the InChIKey of N-[(1R)-1-thiophen-2-ylethyl]-2-[2-(1H-1,2,4-triazol-5-yl)phenoxy]acetamide?
The InChIKey is OZQNRTDURJLDDM-LLVKDONJSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-11(14-7-4-8-23-14)19-15(21)9-22-13-6-3-2-5-12(13)16-17-10-18-20-16/h2-8,10-11H,9H2,1H3,(H,19,21)(H,17,18,20)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-thiophen-2-ylethyl]-2-[2-(1H-1,2,4-triazol-5-yl)phenoxy]acetamide?
N-[(1R)-1-thiophen-2-ylethyl]-2-[2-(1H-1,2,4-triazol-5-yl)phenoxy]acetamide has a molecular weight of 328.40 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-thiophen-2-ylethyl]-2-[2-(1H-1,2,4-triazol-5-yl)phenoxy]acetamide is sourced from PubChem (CID 97089284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).