N-[[2-[4-(2-thiophen-3-ylacetyl)morpholin-2-yl]-1H-imidazol-5-yl]methyl]acetamide

C16H20N4O3S — CID 110117117

IUPACN-[[2-[4-(2-thiophen-3-ylacetyl)morpholin-2-yl]-1H-imidazol-5-yl]methyl]acetamide
SMILESCC(=O)NCc1cnc(C2CN(C(=O)Cc3ccsc3)CCO2)[nH]1
InChIInChI=1S/C16H20N4O3S/c1-11(21)17-7-13-8-18-16(19-13)14-9-20(3-4-23-14)15(22)6-12-2-5-24-10-12/h2,5,8,10,14H,3-4,6-7,9H2,1H3,(H,17,21)(H,18,19)
InChIKeyAXWIUOWWPSGXQI-UHFFFAOYSA-N
MW348.43 g/mol
LogP1.25
Rot. Bonds5

About N-[[2-[4-(2-thiophen-3-ylacetyl)morpholin-2-yl]-1H-imidazol-5-yl]methyl]acetamide

N-[[2-[4-(2-thiophen-3-ylacetyl)morpholin-2-yl]-1H-imidazol-5-yl]methyl]acetamide (PubChem CID 110117117) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is N-[[2-[4-(2-thiophen-3-ylacetyl)morpholin-2-yl]-1H-imidazol-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[2-[4-(2-thiophen-3-ylacetyl)morpholin-2-yl]-1H-imidazol-5-yl]methyl]acetamide
PubChem CID110117117
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC NameN-[[2-[4-(2-thiophen-3-ylacetyl)morpholin-2-yl]-1H-imidazol-5-yl]methyl]acetamide
SMILESCC(=O)NCc1cnc(C2CN(C(=O)Cc3ccsc3)CCO2)[nH]1
InChIInChI=1S/C16H20N4O3S/c1-11(21)17-7-13-8-18-16(19-13)14-9-20(3-4-23-14)15(22)6-12-2-5-24-10-12/h2,5,8,10,14H,3-4,6-7,9H2,1H3,(H,17,21)(H,18,19)
InChIKeyAXWIUOWWPSGXQI-UHFFFAOYSA-N
XLogP1.25
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-[(2S)-4-[(E)-3-phenylprop-2-enoyl]morpholin-2-yl]-1H-imidazol-5-yl]methyl]acetamide
CID 124948396
N-[[2-[(2S)-4-(pyridine-2-carbonyl)morpholin-2-yl]-1H-imidazol-5-yl]methyl]acetamide
CID 125021716
N-[2-[2-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]morpholin-4-yl]-2-oxoethyl]acetamide
CID 110117072
1-(2-pyridin-4-ylmorpholin-4-yl)-2-thiophen-3-ylethanone
CID 110102530
1-[(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-2-thiophen-3-ylethanone
CID 124941277
N-[[2-[4-(5-ethyl-1,2-oxazole-3-carbonyl)morpholin-2-yl]-1H-imidazol-5-yl]methyl]acetamide
CID 110117119
2-(2,3-dihydro-1H-inden-5-yl)-1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone
CID 110105208
2-(4-methoxyphenyl)-1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone
CID 124978039
1-[(2R)-2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-2-thiophen-3-ylethanone
CID 92577855
1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-naphthalen-2-ylethanone
CID 124995684
1-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-phenylpropan-1-one
CID 124972553
N-[[2-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide
CID 124963297

Frequently Asked Questions

What is the IUPAC name of N-[[2-[4-(2-thiophen-3-ylacetyl)morpholin-2-yl]-1H-imidazol-5-yl]methyl]acetamide?
The IUPAC name of N-[[2-[4-(2-thiophen-3-ylacetyl)morpholin-2-yl]-1H-imidazol-5-yl]methyl]acetamide (CID 110117117) is N-[[2-[4-(2-thiophen-3-ylacetyl)morpholin-2-yl]-1H-imidazol-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[2-[4-(2-thiophen-3-ylacetyl)morpholin-2-yl]-1H-imidazol-5-yl]methyl]acetamide?
The canonical SMILES for N-[[2-[4-(2-thiophen-3-ylacetyl)morpholin-2-yl]-1H-imidazol-5-yl]methyl]acetamide is CC(=O)NCc1cnc(C2CN(C(=O)Cc3ccsc3)CCO2)[nH]1.
What is the InChIKey of N-[[2-[4-(2-thiophen-3-ylacetyl)morpholin-2-yl]-1H-imidazol-5-yl]methyl]acetamide?
The InChIKey is AXWIUOWWPSGXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-11(21)17-7-13-8-18-16(19-13)14-9-20(3-4-23-14)15(22)6-12-2-5-24-10-12/h2,5,8,10,14H,3-4,6-7,9H2,1H3,(H,17,21)(H,18,19).
What are the key properties of N-[[2-[4-(2-thiophen-3-ylacetyl)morpholin-2-yl]-1H-imidazol-5-yl]methyl]acetamide?
N-[[2-[4-(2-thiophen-3-ylacetyl)morpholin-2-yl]-1H-imidazol-5-yl]methyl]acetamide has a molecular weight of 348.43 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[4-(2-thiophen-3-ylacetyl)morpholin-2-yl]-1H-imidazol-5-yl]methyl]acetamide is sourced from PubChem (CID 110117117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).