2-[(3R,5S)-3,5-dimethylmorpholin-4-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide

C15H23N3O3S — CID 95981495

IUPAC2-[(3R,5S)-3,5-dimethylmorpholin-4-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
SMILESC[C@@H]1COC[C@H](C)N1CC(=O)NC(=O)NCCc1cccs1
InChIInChI=1S/C15H23N3O3S/c1-11-9-21-10-12(2)18(11)8-14(19)17-15(20)16-6-5-13-4-3-7-22-13/h3-4,7,11-12H,5-6,8-10H2,1-2H3,(H2,16,17,19,20)/t11-,12+
InChIKeySHJIOQUETZUMJE-TXEJJXNPSA-N
MW325.43 g/mol
LogP1.23
Rot. Bonds5

About 2-[(3R,5S)-3,5-dimethylmorpholin-4-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide

2-[(3R,5S)-3,5-dimethylmorpholin-4-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide (PubChem CID 95981495) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 2-[(3R,5S)-3,5-dimethylmorpholin-4-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(3R,5S)-3,5-dimethylmorpholin-4-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
PubChem CID95981495
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name2-[(3R,5S)-3,5-dimethylmorpholin-4-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
SMILESC[C@@H]1COC[C@H](C)N1CC(=O)NC(=O)NCCc1cccs1
InChIInChI=1S/C15H23N3O3S/c1-11-9-21-10-12(2)18(11)8-14(19)17-15(20)16-6-5-13-4-3-7-22-13/h3-4,7,11-12H,5-6,8-10H2,1-2H3,(H2,16,17,19,20)/t11-,12+
InChIKeySHJIOQUETZUMJE-TXEJJXNPSA-N
XLogP1.23
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,6-dimethylmorpholin-4-yl)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 51202772
2-(4-acetyl-1,4-diazepan-1-yl)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 27133290
2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 30415975
N-(2-thiophen-2-ylethylcarbamoyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide
CID 55703418
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 28594191
2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 56578799
2-(4-methoxyphenyl)sulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 27562284
2-[1-cyclopropylethyl(methyl)amino]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 134022655
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 9248959
2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 39722478
2-(2,5-dimethylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 64980594
2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 46821848

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,5S)-3,5-dimethylmorpholin-4-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide?
The IUPAC name of 2-[(3R,5S)-3,5-dimethylmorpholin-4-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide (CID 95981495) is 2-[(3R,5S)-3,5-dimethylmorpholin-4-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(3R,5S)-3,5-dimethylmorpholin-4-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide?
The canonical SMILES for 2-[(3R,5S)-3,5-dimethylmorpholin-4-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide is C[C@@H]1COC[C@H](C)N1CC(=O)NC(=O)NCCc1cccs1.
What is the InChIKey of 2-[(3R,5S)-3,5-dimethylmorpholin-4-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide?
The InChIKey is SHJIOQUETZUMJE-TXEJJXNPSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-11-9-21-10-12(2)18(11)8-14(19)17-15(20)16-6-5-13-4-3-7-22-13/h3-4,7,11-12H,5-6,8-10H2,1-2H3,(H2,16,17,19,20)/t11-,12+.
What are the key properties of 2-[(3R,5S)-3,5-dimethylmorpholin-4-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide?
2-[(3R,5S)-3,5-dimethylmorpholin-4-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide has a molecular weight of 325.43 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,5S)-3,5-dimethylmorpholin-4-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide is sourced from PubChem (CID 95981495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).