1-[2-(2-chlorophenyl)morpholin-4-yl]-2-thiophen-2-ylethanone

C16H16ClNO2S — CID 110326851

IUPAC1-[2-(2-chlorophenyl)morpholin-4-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCOC(c2ccccc2Cl)C1
InChIInChI=1S/C16H16ClNO2S/c17-14-6-2-1-5-13(14)15-11-18(7-8-20-15)16(19)10-12-4-3-9-21-12/h1-6,9,15H,7-8,10-11H2
InChIKeyMPKKWUOMUXAMNN-UHFFFAOYSA-N
MW321.83 g/mol
LogP3.54
Rot. Bonds3

About 1-[2-(2-chlorophenyl)morpholin-4-yl]-2-thiophen-2-ylethanone

1-[2-(2-chlorophenyl)morpholin-4-yl]-2-thiophen-2-ylethanone (PubChem CID 110326851) has the molecular formula C16H16ClNO2S and a molecular weight of 321.83 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)morpholin-4-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)morpholin-4-yl]-2-thiophen-2-ylethanone
PubChem CID110326851
Molecular FormulaC16H16ClNO2S
Molecular Weight321.83 g/mol
Exact Mass321.06
IUPAC Name1-[2-(2-chlorophenyl)morpholin-4-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCOC(c2ccccc2Cl)C1
InChIInChI=1S/C16H16ClNO2S/c17-14-6-2-1-5-13(14)15-11-18(7-8-20-15)16(19)10-12-4-3-9-21-12/h1-6,9,15H,7-8,10-11H2
InChIKeyMPKKWUOMUXAMNN-UHFFFAOYSA-N
XLogP3.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-2-phenylmorpholin-4-yl]-2-thiophen-2-ylethanone
CID 51641442
1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-2-thiophen-2-ylethanone
CID 110364311
1-[2-(2-chlorophenyl)morpholin-4-yl]butan-1-one
CID 110326823
1-[2-(4-bromophenyl)morpholin-4-yl]-2-thiophen-2-ylethanone
CID 47913307
1-[2-(2-fluorophenyl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 110363977
1-[2-[4-(dimethylamino)phenyl]morpholin-4-yl]-2-thiophen-2-ylethanone
CID 110364204
(2-chlorophenyl)-[2-(2-chlorophenyl)morpholin-4-yl]methanone
CID 110326868
1-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]-2-(cyclopropylmethoxy)ethanone
CID 95336958
7-amino-1-[2-(2-chlorophenyl)morpholin-4-yl]heptan-1-one;hydrochloride
CID 119774901
1-[2-(2-chlorophenyl)morpholin-4-yl]-2-(2-methoxyphenoxy)ethanone
CID 110326874
1-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-2-thiophen-2-ylethanone
CID 124986100
1-[2-(2-chlorophenyl)morpholin-4-yl]-4-(4-methylphenyl)butane-1,4-dione
CID 110356589

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)morpholin-4-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[2-(2-chlorophenyl)morpholin-4-yl]-2-thiophen-2-ylethanone (CID 110326851) is 1-[2-(2-chlorophenyl)morpholin-4-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[2-(2-chlorophenyl)morpholin-4-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[2-(2-chlorophenyl)morpholin-4-yl]-2-thiophen-2-ylethanone is O=C(Cc1cccs1)N1CCOC(c2ccccc2Cl)C1.
What is the InChIKey of 1-[2-(2-chlorophenyl)morpholin-4-yl]-2-thiophen-2-ylethanone?
The InChIKey is MPKKWUOMUXAMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2S/c17-14-6-2-1-5-13(14)15-11-18(7-8-20-15)16(19)10-12-4-3-9-21-12/h1-6,9,15H,7-8,10-11H2.
What are the key properties of 1-[2-(2-chlorophenyl)morpholin-4-yl]-2-thiophen-2-ylethanone?
1-[2-(2-chlorophenyl)morpholin-4-yl]-2-thiophen-2-ylethanone has a molecular weight of 321.83 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)morpholin-4-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 110326851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).