1-[(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]-4-thiophen-2-ylbutan-1-one

C19H22FNO2S — CID 26391350

IUPAC1-[(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]-4-thiophen-2-ylbutan-1-one
SMILESO=C(CCCc1cccs1)N1CCO[C@@H](Cc2cccc(F)c2)C1
InChIInChI=1S/C19H22FNO2S/c20-16-5-1-4-15(12-16)13-17-14-21(9-10-23-17)19(22)8-2-6-18-7-3-11-24-18/h1,3-5,7,11-12,17H,2,6,8-10,13-14H2/t17-/m0/s1
InChIKeyFVRNNEWIBSVDTL-KRWDZBQOSA-N
MW347.45 g/mol
LogP3.68
Rot. Bonds6

About 1-[(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]-4-thiophen-2-ylbutan-1-one

1-[(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]-4-thiophen-2-ylbutan-1-one (PubChem CID 26391350) has the molecular formula C19H22FNO2S and a molecular weight of 347.45 g/mol. Its IUPAC name is 1-[(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]-4-thiophen-2-ylbutan-1-one.

Molecular Properties

Compound Name1-[(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]-4-thiophen-2-ylbutan-1-one
PubChem CID26391350
Molecular FormulaC19H22FNO2S
Molecular Weight347.45 g/mol
Exact Mass347.14
IUPAC Name1-[(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]-4-thiophen-2-ylbutan-1-one
SMILESO=C(CCCc1cccs1)N1CCO[C@@H](Cc2cccc(F)c2)C1
InChIInChI=1S/C19H22FNO2S/c20-16-5-1-4-15(12-16)13-17-14-21(9-10-23-17)19(22)8-2-6-18-7-3-11-24-18/h1,3-5,7,11-12,17H,2,6,8-10,13-14H2/t17-/m0/s1
InChIKeyFVRNNEWIBSVDTL-KRWDZBQOSA-N
XLogP3.68
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.45
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Fluorophenyl)-1-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]ethanone
CID 49669904
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CID 50970406
1-(4-{2-[(3-Fluorobenzyl)oxy]ethyl}piperidino)-2-(2-thienyl)-1-ethanone
CID 53150621
1-(3-Phenylmorpholin-4-yl)-4-thiophen-2-ylbutane-1,4-dione
CID 71993259
1-(3-Phenylmorpholin-4-yl)-2-thiophen-2-ylethanone
CID 71993260
Ethyl 4-phenyl-1-(2-thiophen-3-ylacetyl)piperidine-4-carboxylate
CID 172433487
N-(3-(2-phenylmorpholino)propyl)-2-(thiophen-2-yl)acetamide
CID 16892518
2-(2-Phenylethyl)-4-(2-thienylcarbonyl)morpholine
CID 45209120
2-(3-Phenylpropyl)-4-[3-(2-thienyl)propanoyl]morpholine
CID 45248006
2-(4-fluorophenyl)-N-((4-(thiophen-2-yl)tetrahydro-2H-pyran-4-yl)methyl)acetamide
CID 30943648
N-(2-(4-fluorophenyl)-1-{1-[3-(2-thienyl)propanoyl]-4-piperidinyl}ethyl)-2-methoxy-N-methylacetamide
CID 45185249
4-(2-Thienylcarbonyl)-2-[3-(trifluoromethyl)benzyl]morpholine
CID 45218142

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]-4-thiophen-2-ylbutan-1-one?
The IUPAC name of 1-[(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]-4-thiophen-2-ylbutan-1-one (CID 26391350) is 1-[(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]-4-thiophen-2-ylbutan-1-one.
What is the SMILES notation for 1-[(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]-4-thiophen-2-ylbutan-1-one?
The canonical SMILES for 1-[(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]-4-thiophen-2-ylbutan-1-one is O=C(CCCc1cccs1)N1CCO[C@@H](Cc2cccc(F)c2)C1.
What is the InChIKey of 1-[(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]-4-thiophen-2-ylbutan-1-one?
The InChIKey is FVRNNEWIBSVDTL-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H22FNO2S/c20-16-5-1-4-15(12-16)13-17-14-21(9-10-23-17)19(22)8-2-6-18-7-3-11-24-18/h1,3-5,7,11-12,17H,2,6,8-10,13-14H2/t17-/m0/s1.
What are the key properties of 1-[(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]-4-thiophen-2-ylbutan-1-one?
1-[(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]-4-thiophen-2-ylbutan-1-one has a molecular weight of 347.45 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]-4-thiophen-2-ylbutan-1-one is sourced from PubChem (CID 26391350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).