2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]-N-(2-thiophen-3-ylethyl)acetamide

C16H22N4O2S — CID 95279241

IUPAC2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]-N-(2-thiophen-3-ylethyl)acetamide
SMILESO=C(CN1CCO[C@H](Cn2cccn2)C1)NCCc1ccsc1
InChIInChI=1S/C16H22N4O2S/c21-16(17-5-2-14-3-9-23-13-14)12-19-7-8-22-15(10-19)11-20-6-1-4-18-20/h1,3-4,6,9,13,15H,2,5,7-8,10-12H2,(H,17,21)/t15-/m0/s1
InChIKeyGGTDPOGMTJSGLO-HNNXBMFYSA-N
MW334.44 g/mol
LogP1.00
Rot. Bonds7

About 2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]-N-(2-thiophen-3-ylethyl)acetamide

2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]-N-(2-thiophen-3-ylethyl)acetamide (PubChem CID 95279241) 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-(2-thiophen-3-ylethyl)acetamide.

Molecular Properties

Compound Name2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]-N-(2-thiophen-3-ylethyl)acetamide
PubChem CID95279241
Molecular FormulaC16H22N4O2S
Molecular Weight334.44 g/mol
Exact Mass334.15
IUPAC Name2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]-N-(2-thiophen-3-ylethyl)acetamide
SMILESO=C(CN1CCO[C@H](Cn2cccn2)C1)NCCc1ccsc1
InChIInChI=1S/C16H22N4O2S/c21-16(17-5-2-14-3-9-23-13-14)12-19-7-8-22-15(10-19)11-20-6-1-4-18-20/h1,3-4,6,9,13,15H,2,5,7-8,10-12H2,(H,17,21)/t15-/m0/s1
InChIKeyGGTDPOGMTJSGLO-HNNXBMFYSA-N
XLogP1.00
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]acetamide
CID 95277610
N-(2-acetamidoethyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]acetamide
CID 95321575
N-[2-(cyclohexen-1-yl)ethyl]-2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]acetamide
CID 95276948
2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 95279234
2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 86895509
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-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 86895517
3-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]benzamide
CID 95299116
2-[(3R)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-(2-thiophen-3-ylethyl)acetamide
CID 98767316
(2R)-4-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95279165
methyl 2-[4-(2-thiophen-3-ylethyl)morpholin-2-yl]acetate
CID 79822869
(2R)-4-[(5-bromothiophen-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95289806

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]-N-(2-thiophen-3-ylethyl)acetamide?
The IUPAC name of 2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]-N-(2-thiophen-3-ylethyl)acetamide (CID 95279241) is 2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]-N-(2-thiophen-3-ylethyl)acetamide.
What is the SMILES notation for 2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]-N-(2-thiophen-3-ylethyl)acetamide?
The canonical SMILES for 2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]-N-(2-thiophen-3-ylethyl)acetamide is O=C(CN1CCO[C@H](Cn2cccn2)C1)NCCc1ccsc1.
What is the InChIKey of 2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]-N-(2-thiophen-3-ylethyl)acetamide?
The InChIKey is GGTDPOGMTJSGLO-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c21-16(17-5-2-14-3-9-23-13-14)12-19-7-8-22-15(10-19)11-20-6-1-4-18-20/h1,3-4,6,9,13,15H,2,5,7-8,10-12H2,(H,17,21)/t15-/m0/s1.
What are the key properties of 2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]-N-(2-thiophen-3-ylethyl)acetamide?
2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]-N-(2-thiophen-3-ylethyl)acetamide has a molecular weight of 334.44 g/mol, XLogP of 1.00, 7 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-(2-thiophen-3-ylethyl)acetamide is sourced from PubChem (CID 95279241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).