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

C16H16BrNO2S — CID 47913307

IUPAC1-[2-(4-bromophenyl)morpholin-4-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCOC(c2ccc(Br)cc2)C1
InChIInChI=1S/C16H16BrNO2S/c17-13-5-3-12(4-6-13)15-11-18(7-8-20-15)16(19)10-14-2-1-9-21-14/h1-6,9,15H,7-8,10-11H2
InChIKeyNDEMEXXRCIZKBD-UHFFFAOYSA-N
MW366.28 g/mol
LogP3.65
Rot. Bonds3

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

1-[2-(4-bromophenyl)morpholin-4-yl]-2-thiophen-2-ylethanone (PubChem CID 47913307) has the molecular formula C16H16BrNO2S and a molecular weight of 366.28 g/mol. Its IUPAC name is 1-[2-(4-bromophenyl)morpholin-4-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[2-(4-bromophenyl)morpholin-4-yl]-2-thiophen-2-ylethanone
PubChem CID47913307
Molecular FormulaC16H16BrNO2S
Molecular Weight366.28 g/mol
Exact Mass365.01
IUPAC Name1-[2-(4-bromophenyl)morpholin-4-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCOC(c2ccc(Br)cc2)C1
InChIInChI=1S/C16H16BrNO2S/c17-13-5-3-12(4-6-13)15-11-18(7-8-20-15)16(19)10-14-2-1-9-21-14/h1-6,9,15H,7-8,10-11H2
InChIKeyNDEMEXXRCIZKBD-UHFFFAOYSA-N
XLogP3.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.28
LogP ≤ 53.65
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-[4-(dimethylamino)phenyl]morpholin-4-yl]-2-thiophen-2-ylethanone
CID 110364204
1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-2-thiophen-2-ylethanone
CID 110364311
N-[2-[2-(4-bromophenyl)morpholin-4-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 60586938
1-[2-(2-chlorophenyl)morpholin-4-yl]-2-thiophen-2-ylethanone
CID 110326851
1-[(2R)-2-pyridin-4-ylmorpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 124986253
1-[2-(4-ethylphenyl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 110364040
methyl 4-[2-(4-bromophenyl)morpholin-4-yl]-4-oxobutanoate
CID 110664958
1-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-2-thiophen-2-ylethanone
CID 124986100
4-amino-1-[2-(4-bromophenyl)morpholin-4-yl]pentan-1-one;hydrochloride
CID 120561194
2-thiophen-2-yl-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110364980
1-[(2R)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-2-thiophen-2-ylethanone
CID 124981363

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenyl)morpholin-4-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[2-(4-bromophenyl)morpholin-4-yl]-2-thiophen-2-ylethanone (CID 47913307) is 1-[2-(4-bromophenyl)morpholin-4-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[2-(4-bromophenyl)morpholin-4-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[2-(4-bromophenyl)morpholin-4-yl]-2-thiophen-2-ylethanone is O=C(Cc1cccs1)N1CCOC(c2ccc(Br)cc2)C1.
What is the InChIKey of 1-[2-(4-bromophenyl)morpholin-4-yl]-2-thiophen-2-ylethanone?
The InChIKey is NDEMEXXRCIZKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2S/c17-13-5-3-12(4-6-13)15-11-18(7-8-20-15)16(19)10-14-2-1-9-21-14/h1-6,9,15H,7-8,10-11H2.
What are the key properties of 1-[2-(4-bromophenyl)morpholin-4-yl]-2-thiophen-2-ylethanone?
1-[2-(4-bromophenyl)morpholin-4-yl]-2-thiophen-2-ylethanone has a molecular weight of 366.28 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromophenyl)morpholin-4-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 47913307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).