2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide

C16H22N4O2S — CID 95279234

IUPAC2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
SMILESC[C@@H](NC(=O)CN1CCO[C@H](Cn2cccn2)C1)c1cccs1
InChIInChI=1S/C16H22N4O2S/c1-13(15-4-2-9-23-15)18-16(21)12-19-7-8-22-14(10-19)11-20-6-3-5-17-20/h2-6,9,13-14H,7-8,10-12H2,1H3,(H,18,21)/t13-,14+/m1/s1
InChIKeyDCRGYBOUZRYYAU-KGLIPLIRSA-N
MW334.44 g/mol
LogP1.52
Rot. Bonds6

About 2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide

2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide (PubChem CID 95279234) has the molecular formula C16H22N4O2S and a molecular weight of 334.44 g/mol. Its IUPAC name is 2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
PubChem CID95279234
Molecular FormulaC16H22N4O2S
Molecular Weight334.44 g/mol
Exact Mass334.15
IUPAC Name2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
SMILESC[C@@H](NC(=O)CN1CCO[C@H](Cn2cccn2)C1)c1cccs1
InChIInChI=1S/C16H22N4O2S/c1-13(15-4-2-9-23-15)18-16(21)12-19-7-8-22-14(10-19)11-20-6-3-5-17-20/h2-6,9,13-14H,7-8,10-12H2,1H3,(H,18,21)/t13-,14+/m1/s1
InChIKeyDCRGYBOUZRYYAU-KGLIPLIRSA-N
XLogP1.52
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 95609320
2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]-N-(2-thiophen-3-ylethyl)acetamide
CID 95279241
2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 86895509
N-(2-acetamidoethyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]acetamide
CID 95321575
2-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 129339664
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanone
CID 95283759
2-(3,5-dimethylpiperazin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 63872915
N-[2-(4-fluorophenyl)ethyl]-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]acetamide
CID 95277610
N-butan-2-yl-2-[4-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]piperazin-1-yl]acetamide
CID 134045399
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide
CID 115647928
2-[1-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]azetidin-3-yl]propanoic acid
CID 116684068
2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 95286898

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide?
The IUPAC name of 2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide (CID 95279234) is 2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide.
What is the SMILES notation for 2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide?
The canonical SMILES for 2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide is C[C@@H](NC(=O)CN1CCO[C@H](Cn2cccn2)C1)c1cccs1.
What is the InChIKey of 2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide?
The InChIKey is DCRGYBOUZRYYAU-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-13(15-4-2-9-23-15)18-16(21)12-19-7-8-22-14(10-19)11-20-6-3-5-17-20/h2-6,9,13-14H,7-8,10-12H2,1H3,(H,18,21)/t13-,14+/m1/s1.
What are the key properties of 2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide?
2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide has a molecular weight of 334.44 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide is sourced from PubChem (CID 95279234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).