(5-ethyl-4-methylthiophen-2-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone

C18H20FNO2S — CID 46570235

IUPAC(5-ethyl-4-methylthiophen-2-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone
SMILESCCc1sc(C(=O)N2CCOC(c3ccc(F)cc3)C2)cc1C
InChIInChI=1S/C18H20FNO2S/c1-3-16-12(2)10-17(23-16)18(21)20-8-9-22-15(11-20)13-4-6-14(19)7-5-13/h4-7,10,15H,3,8-9,11H2,1-2H3
InChIKeyUSBCXUYQVQUNRU-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.97
Rot. Bonds3

About (5-ethyl-4-methylthiophen-2-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone

(5-ethyl-4-methylthiophen-2-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone (PubChem CID 46570235) has the molecular formula C18H20FNO2S and a molecular weight of 333.43 g/mol. Its IUPAC name is (5-ethyl-4-methylthiophen-2-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(5-ethyl-4-methylthiophen-2-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone
PubChem CID46570235
Molecular FormulaC18H20FNO2S
Molecular Weight333.43 g/mol
Exact Mass333.12
IUPAC Name(5-ethyl-4-methylthiophen-2-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone
SMILESCCc1sc(C(=O)N2CCOC(c3ccc(F)cc3)C2)cc1C
InChIInChI=1S/C18H20FNO2S/c1-3-16-12(2)10-17(23-16)18(21)20-8-9-22-15(11-20)13-4-6-14(19)7-5-13/h4-7,10,15H,3,8-9,11H2,1-2H3
InChIKeyUSBCXUYQVQUNRU-UHFFFAOYSA-N
XLogP3.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-Fluorophenyl)-2-(2-methoxyethylamino)-2-oxoethyl] thiophene-2-carboxylate
CID 3220334
Thiophene-2-carboxylic acid 1-(4-fluoro-benzylcarbamoyl)-2-methyl-propyl ester
CID 3220265
[1-{[5-(Methoxymethyl)-2-thienyl]carbonyl}-3-(2-phenylethyl)-3-piperidinyl]methanol
CID 24819300
[2-[(4-Fluorophenyl)methylamino]-2-oxoethyl] 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 4005411
Thiophene-2-carboxylic acid 2-(benzyl-methyl-amino)-1-methyl-ethyl ester
CID 6602582
[2-[5-(2-Morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 2,3-dimethylbenzoate
CID 8195376
(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
Methyl 4-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]oxymethyl]benzoate
CID 2578762
[3-[Benzyl(methyl)amino]piperidin-1-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone
CID 24793283

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-4-methylthiophen-2-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone?
The IUPAC name of (5-ethyl-4-methylthiophen-2-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone (CID 46570235) is (5-ethyl-4-methylthiophen-2-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone.
What is the SMILES notation for (5-ethyl-4-methylthiophen-2-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone?
The canonical SMILES for (5-ethyl-4-methylthiophen-2-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone is CCc1sc(C(=O)N2CCOC(c3ccc(F)cc3)C2)cc1C.
What is the InChIKey of (5-ethyl-4-methylthiophen-2-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone?
The InChIKey is USBCXUYQVQUNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2S/c1-3-16-12(2)10-17(23-16)18(21)20-8-9-22-15(11-20)13-4-6-14(19)7-5-13/h4-7,10,15H,3,8-9,11H2,1-2H3.
What are the key properties of (5-ethyl-4-methylthiophen-2-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone?
(5-ethyl-4-methylthiophen-2-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone has a molecular weight of 333.43 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-4-methylthiophen-2-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone is sourced from PubChem (CID 46570235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).