1-[2-(4-ethylphenyl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one

C19H23NO2S — CID 110364040

IUPAC1-[2-(4-ethylphenyl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
SMILESCCc1ccc(C2CN(C(=O)CCc3cccs3)CCO2)cc1
InChIInChI=1S/C19H23NO2S/c1-2-15-5-7-16(8-6-15)18-14-20(11-12-22-18)19(21)10-9-17-4-3-13-23-17/h3-8,13,18H,2,9-12,14H2,1H3
InChIKeyGIAFFBHELSZUJL-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.84
Rot. Bonds5

About 1-[2-(4-ethylphenyl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one

1-[2-(4-ethylphenyl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one (PubChem CID 110364040) has the molecular formula C19H23NO2S and a molecular weight of 329.47 g/mol. Its IUPAC name is 1-[2-(4-ethylphenyl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name1-[2-(4-ethylphenyl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
PubChem CID110364040
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC Name1-[2-(4-ethylphenyl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
SMILESCCc1ccc(C2CN(C(=O)CCc3cccs3)CCO2)cc1
InChIInChI=1S/C19H23NO2S/c1-2-15-5-7-16(8-6-15)18-14-20(11-12-22-18)19(21)10-9-17-4-3-13-23-17/h3-8,13,18H,2,9-12,14H2,1H3
InChIKeyGIAFFBHELSZUJL-UHFFFAOYSA-N
XLogP3.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-2-pyridin-4-ylmorpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 124986253
1-[2-(2-fluorophenyl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 110363977
1-[2-(4-ethylphenyl)morpholin-4-yl]ethanone
CID 71684128
1-[(2S)-2-phenylmorpholin-4-yl]-2-thiophen-2-ylethanone
CID 51641442
1-[2-(4-ethylphenyl)morpholin-4-yl]-4-phenoxybutan-1-one
CID 110364018
1-(2-pyrazin-2-ylmorpholin-4-yl)-3-thiophen-2-ylpropan-1-one
CID 127246266
1-[2-(4-bromophenyl)morpholin-4-yl]-2-thiophen-2-ylethanone
CID 47913307
1-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 124979682
1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 124960617
1-[(2R)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 124975891
1-[2-[4-(dimethylamino)phenyl]morpholin-4-yl]-2-thiophen-2-ylethanone
CID 110364204
2-[4-(3-thiophen-2-ylpropanoyl)morpholin-2-yl]acetic acid
CID 66421747

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylphenyl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one?
The IUPAC name of 1-[2-(4-ethylphenyl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one (CID 110364040) is 1-[2-(4-ethylphenyl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 1-[2-(4-ethylphenyl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one?
The canonical SMILES for 1-[2-(4-ethylphenyl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one is CCc1ccc(C2CN(C(=O)CCc3cccs3)CCO2)cc1.
What is the InChIKey of 1-[2-(4-ethylphenyl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one?
The InChIKey is GIAFFBHELSZUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-2-15-5-7-16(8-6-15)18-14-20(11-12-22-18)19(21)10-9-17-4-3-13-23-17/h3-8,13,18H,2,9-12,14H2,1H3.
What are the key properties of 1-[2-(4-ethylphenyl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one?
1-[2-(4-ethylphenyl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one has a molecular weight of 329.47 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylphenyl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 110364040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).