1-[5-[2-(4-fluoro-3-methylphenyl)morpholine-4-carbonyl]thiophen-3-yl]ethanone

C18H18FNO3S — CID 75395432

IUPAC1-[5-[2-(4-fluoro-3-methylphenyl)morpholine-4-carbonyl]thiophen-3-yl]ethanone
SMILESCC(=O)c1csc(C(=O)N2CCOC(c3ccc(F)c(C)c3)C2)c1
InChIInChI=1S/C18H18FNO3S/c1-11-7-13(3-4-15(11)19)16-9-20(5-6-23-16)18(22)17-8-14(10-24-17)12(2)21/h3-4,7-8,10,16H,5-6,9H2,1-2H3
InChIKeyRHUAWFSZHNMWNK-UHFFFAOYSA-N
MW347.41 g/mol
LogP3.61
Rot. Bonds3

About 1-[5-[2-(4-fluoro-3-methylphenyl)morpholine-4-carbonyl]thiophen-3-yl]ethanone

1-[5-[2-(4-fluoro-3-methylphenyl)morpholine-4-carbonyl]thiophen-3-yl]ethanone (PubChem CID 75395432) has the molecular formula C18H18FNO3S and a molecular weight of 347.41 g/mol. Its IUPAC name is 1-[5-[2-(4-fluoro-3-methylphenyl)morpholine-4-carbonyl]thiophen-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-[2-(4-fluoro-3-methylphenyl)morpholine-4-carbonyl]thiophen-3-yl]ethanone
PubChem CID75395432
Molecular FormulaC18H18FNO3S
Molecular Weight347.41 g/mol
Exact Mass347.10
IUPAC Name1-[5-[2-(4-fluoro-3-methylphenyl)morpholine-4-carbonyl]thiophen-3-yl]ethanone
SMILESCC(=O)c1csc(C(=O)N2CCOC(c3ccc(F)c(C)c3)C2)c1
InChIInChI=1S/C18H18FNO3S/c1-11-7-13(3-4-15(11)19)16-9-20(5-6-23-16)18(22)17-8-14(10-24-17)12(2)21/h3-4,7-8,10,16H,5-6,9H2,1-2H3
InChIKeyRHUAWFSZHNMWNK-UHFFFAOYSA-N
XLogP3.61
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-fluoro-3-methylphenyl)morpholin-4-yl]-[2-(furan-2-yl)-1,3-thiazol-5-yl]methanone
CID 126780059
[2-(4-fluorophenyl)morpholin-4-yl]-(5-iodothiophen-3-yl)methanone
CID 78950100
5-[2-(3-chloro-4-fluorophenyl)morpholine-4-carbonyl]thiophene-2-carboxylic acid
CID 119183890
(2S)-2-(4-fluoro-3-methylphenyl)-N-[(1-methylpyrrol-3-yl)methyl]morpholine-4-carboxamide
CID 97249747
1-[5-[2-(4-chlorophenyl)morpholine-4-carbonyl]-1-methylpyrrol-3-yl]ethanone
CID 86821175
[2-(4-fluorophenyl)morpholin-4-yl]-thiophen-2-ylmethanone
CID 42949369
[2-(4-fluoro-3-methylphenyl)morpholin-4-yl]-[2-(1,2,4-triazol-1-ylmethyl)phenyl]methanone
CID 126787424
(3,4-difluorophenyl)-[2-(4-ethylphenyl)morpholin-4-yl]methanone
CID 110364027
[(2S)-2-(3,4-difluorophenyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone
CID 124605948
[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 146123039
[2-(chloromethyl)morpholin-4-yl]-(4-fluoro-3-methylphenyl)methanone
CID 81210108
(5-bromothiophen-2-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone
CID 42949375

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(4-fluoro-3-methylphenyl)morpholine-4-carbonyl]thiophen-3-yl]ethanone?
The IUPAC name of 1-[5-[2-(4-fluoro-3-methylphenyl)morpholine-4-carbonyl]thiophen-3-yl]ethanone (CID 75395432) is 1-[5-[2-(4-fluoro-3-methylphenyl)morpholine-4-carbonyl]thiophen-3-yl]ethanone.
What is the SMILES notation for 1-[5-[2-(4-fluoro-3-methylphenyl)morpholine-4-carbonyl]thiophen-3-yl]ethanone?
The canonical SMILES for 1-[5-[2-(4-fluoro-3-methylphenyl)morpholine-4-carbonyl]thiophen-3-yl]ethanone is CC(=O)c1csc(C(=O)N2CCOC(c3ccc(F)c(C)c3)C2)c1.
What is the InChIKey of 1-[5-[2-(4-fluoro-3-methylphenyl)morpholine-4-carbonyl]thiophen-3-yl]ethanone?
The InChIKey is RHUAWFSZHNMWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO3S/c1-11-7-13(3-4-15(11)19)16-9-20(5-6-23-16)18(22)17-8-14(10-24-17)12(2)21/h3-4,7-8,10,16H,5-6,9H2,1-2H3.
What are the key properties of 1-[5-[2-(4-fluoro-3-methylphenyl)morpholine-4-carbonyl]thiophen-3-yl]ethanone?
1-[5-[2-(4-fluoro-3-methylphenyl)morpholine-4-carbonyl]thiophen-3-yl]ethanone has a molecular weight of 347.41 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(4-fluoro-3-methylphenyl)morpholine-4-carbonyl]thiophen-3-yl]ethanone is sourced from PubChem (CID 75395432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).