[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 5-phenylthiophene-2-carboxylate

C19H21NO4S — CID 29461353

IUPAC[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 5-phenylthiophene-2-carboxylate
SMILESC[C@@H]1CN(C(=O)COC(=O)c2ccc(-c3ccccc3)s2)C[C@H](C)O1
InChIInChI=1S/C19H21NO4S/c1-13-10-20(11-14(2)24-13)18(21)12-23-19(22)17-9-8-16(25-17)15-6-4-3-5-7-15/h3-9,13-14H,10-12H2,1-2H3/t13-,14+
InChIKeyAHIKPMRSYSWTLW-OKILXGFUSA-N
MW359.45 g/mol
LogP3.21
Rot. Bonds4

About [2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 5-phenylthiophene-2-carboxylate

[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 5-phenylthiophene-2-carboxylate (PubChem CID 29461353) has the molecular formula C19H21NO4S and a molecular weight of 359.45 g/mol. Its IUPAC name is [2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 5-phenylthiophene-2-carboxylate.

Molecular Properties

Compound Name[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 5-phenylthiophene-2-carboxylate
PubChem CID29461353
Molecular FormulaC19H21NO4S
Molecular Weight359.45 g/mol
Exact Mass359.12
IUPAC Name[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 5-phenylthiophene-2-carboxylate
SMILESC[C@@H]1CN(C(=O)COC(=O)c2ccc(-c3ccccc3)s2)C[C@H](C)O1
InChIInChI=1S/C19H21NO4S/c1-13-10-20(11-14(2)24-13)18(21)12-23-19(22)17-9-8-16(25-17)15-6-4-3-5-7-15/h3-9,13-14H,10-12H2,1-2H3/t13-,14+
InChIKeyAHIKPMRSYSWTLW-OKILXGFUSA-N
XLogP3.21
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 5-phenylthiophene-2-carboxylate with MolForge

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Related Compounds

[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 18199415
bis[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] pyridine-2,6-dicarboxylate
CID 42988833
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] naphthalene-1-carboxylate
CID 4202152
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2,6-dichlorobenzoate
CID 3545684
[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate
CID 7620005
[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-benzoylbenzoate
CID 7470890
[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 9,10-dioxoanthracene-1-carboxylate
CID 7427415
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-phenylphenoxy)ethanone
CID 27233616
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 3-bromobenzoate
CID 23854351
4-O-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7239698
[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
CID 2476564
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2362091

Frequently Asked Questions

What is the IUPAC name of [2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 5-phenylthiophene-2-carboxylate?
The IUPAC name of [2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 5-phenylthiophene-2-carboxylate (CID 29461353) is [2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 5-phenylthiophene-2-carboxylate.
What is the SMILES notation for [2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 5-phenylthiophene-2-carboxylate?
The canonical SMILES for [2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 5-phenylthiophene-2-carboxylate is C[C@@H]1CN(C(=O)COC(=O)c2ccc(-c3ccccc3)s2)C[C@H](C)O1.
What is the InChIKey of [2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 5-phenylthiophene-2-carboxylate?
The InChIKey is AHIKPMRSYSWTLW-OKILXGFUSA-N. The full InChI is InChI=1S/C19H21NO4S/c1-13-10-20(11-14(2)24-13)18(21)12-23-19(22)17-9-8-16(25-17)15-6-4-3-5-7-15/h3-9,13-14H,10-12H2,1-2H3/t13-,14+.
What are the key properties of [2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 5-phenylthiophene-2-carboxylate?
[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 5-phenylthiophene-2-carboxylate has a molecular weight of 359.45 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 5-phenylthiophene-2-carboxylate is sourced from PubChem (CID 29461353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).