[5-(2-fluorophenyl)thiophen-2-yl]-[(2R)-2-phenylmorpholin-4-yl]methanone

C21H18FNO2S — CID 52532023

IUPAC[5-(2-fluorophenyl)thiophen-2-yl]-[(2R)-2-phenylmorpholin-4-yl]methanone
SMILESO=C(c1ccc(-c2ccccc2F)s1)N1CCO[C@H](c2ccccc2)C1
InChIInChI=1S/C21H18FNO2S/c22-17-9-5-4-8-16(17)19-10-11-20(26-19)21(24)23-12-13-25-18(14-23)15-6-2-1-3-7-15/h1-11,18H,12-14H2/t18-/m0/s1
InChIKeyMXPUQGPQEZEGHX-SFHVURJKSA-N
MW367.45 g/mol
LogP4.77
Rot. Bonds3

About [5-(2-fluorophenyl)thiophen-2-yl]-[(2R)-2-phenylmorpholin-4-yl]methanone

[5-(2-fluorophenyl)thiophen-2-yl]-[(2R)-2-phenylmorpholin-4-yl]methanone (PubChem CID 52532023) has the molecular formula C21H18FNO2S and a molecular weight of 367.45 g/mol. Its IUPAC name is [5-(2-fluorophenyl)thiophen-2-yl]-[(2R)-2-phenylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[5-(2-fluorophenyl)thiophen-2-yl]-[(2R)-2-phenylmorpholin-4-yl]methanone
PubChem CID52532023
Molecular FormulaC21H18FNO2S
Molecular Weight367.45 g/mol
Exact Mass367.10
IUPAC Name[5-(2-fluorophenyl)thiophen-2-yl]-[(2R)-2-phenylmorpholin-4-yl]methanone
SMILESO=C(c1ccc(-c2ccccc2F)s1)N1CCO[C@H](c2ccccc2)C1
InChIInChI=1S/C21H18FNO2S/c22-17-9-5-4-8-16(17)19-10-11-20(26-19)21(24)23-12-13-25-18(14-23)15-6-2-1-3-7-15/h1-11,18H,12-14H2/t18-/m0/s1
InChIKeyMXPUQGPQEZEGHX-SFHVURJKSA-N
XLogP4.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(2-Benzhydryloxy-ethyl)-piperazin-1-yl]-1-thiophen-2-yl-propan-1-one
CID 44278810
3-(4-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-piperazin-1-yl)-1-thiophen-2-yl-propan-1-one
CID 44278841
(2,5-Difluorophenyl)(1-{[5-(methoxymethyl)-2-thienyl]carbonyl}-3-piperidinyl)methanone
CID 16187841
(1-{[5-(Methoxymethyl)-2-thienyl]carbonyl}-3-piperidinyl)[4-(methylthio)phenyl]methanone
CID 24793287
2-Thienyl(3-{[4-(trifluoromethyl)benzyl]oxy}piperidino)methanone
CID 46028660
(2,4-Difluorophenyl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone
CID 134817056
[3-[Benzyl(methyl)amino]piperidin-1-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone
CID 24793283
5-acetyl-N-[3-(1-phenylethoxy)propyl]thiophene-2-carboxamide
CID 42942737
[5-(Methoxymethyl)thiophen-2-yl]-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone
CID 45174885
2-(3-Fluorobenzyl)-4-[2-(methylthio)benzoyl]morpholine
CID 45213351
[3-[(2,3-Difluorophenyl)methoxy]piperidin-1-yl]-thiophen-2-ylmethanone
CID 46028967
[3-[(3,5-Difluorophenyl)methoxy]piperidin-1-yl]-thiophen-2-ylmethanone
CID 46028994

Frequently Asked Questions

What is the IUPAC name of [5-(2-fluorophenyl)thiophen-2-yl]-[(2R)-2-phenylmorpholin-4-yl]methanone?
The IUPAC name of [5-(2-fluorophenyl)thiophen-2-yl]-[(2R)-2-phenylmorpholin-4-yl]methanone (CID 52532023) is [5-(2-fluorophenyl)thiophen-2-yl]-[(2R)-2-phenylmorpholin-4-yl]methanone.
What is the SMILES notation for [5-(2-fluorophenyl)thiophen-2-yl]-[(2R)-2-phenylmorpholin-4-yl]methanone?
The canonical SMILES for [5-(2-fluorophenyl)thiophen-2-yl]-[(2R)-2-phenylmorpholin-4-yl]methanone is O=C(c1ccc(-c2ccccc2F)s1)N1CCO[C@H](c2ccccc2)C1.
What is the InChIKey of [5-(2-fluorophenyl)thiophen-2-yl]-[(2R)-2-phenylmorpholin-4-yl]methanone?
The InChIKey is MXPUQGPQEZEGHX-SFHVURJKSA-N. The full InChI is InChI=1S/C21H18FNO2S/c22-17-9-5-4-8-16(17)19-10-11-20(26-19)21(24)23-12-13-25-18(14-23)15-6-2-1-3-7-15/h1-11,18H,12-14H2/t18-/m0/s1.
What are the key properties of [5-(2-fluorophenyl)thiophen-2-yl]-[(2R)-2-phenylmorpholin-4-yl]methanone?
[5-(2-fluorophenyl)thiophen-2-yl]-[(2R)-2-phenylmorpholin-4-yl]methanone has a molecular weight of 367.45 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-fluorophenyl)thiophen-2-yl]-[(2R)-2-phenylmorpholin-4-yl]methanone is sourced from PubChem (CID 52532023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).