[4-(4-ethyl-3-fluorophenyl)thiophen-2-yl]-morpholin-4-ylmethanone

C17H18FNO2S — CID 130252807

IUPAC[4-(4-ethyl-3-fluorophenyl)thiophen-2-yl]-morpholin-4-ylmethanone
SMILESCCc1ccc(-c2csc(C(=O)N3CCOCC3)c2)cc1F
InChIInChI=1S/C17H18FNO2S/c1-2-12-3-4-13(9-15(12)18)14-10-16(22-11-14)17(20)19-5-7-21-8-6-19/h3-4,9-11H,2,5-8H2,1H3
InChIKeyGILYVYKJHPBBIR-UHFFFAOYSA-N
MW319.40 g/mol
LogP3.59
Rot. Bonds3

About [4-(4-ethyl-3-fluorophenyl)thiophen-2-yl]-morpholin-4-ylmethanone

[4-(4-ethyl-3-fluorophenyl)thiophen-2-yl]-morpholin-4-ylmethanone (PubChem CID 130252807) has the molecular formula C17H18FNO2S and a molecular weight of 319.40 g/mol. Its IUPAC name is [4-(4-ethyl-3-fluorophenyl)thiophen-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(4-ethyl-3-fluorophenyl)thiophen-2-yl]-morpholin-4-ylmethanone
PubChem CID130252807
Molecular FormulaC17H18FNO2S
Molecular Weight319.40 g/mol
Exact Mass319.10
IUPAC Name[4-(4-ethyl-3-fluorophenyl)thiophen-2-yl]-morpholin-4-ylmethanone
SMILESCCc1ccc(-c2csc(C(=O)N3CCOCC3)c2)cc1F
InChIInChI=1S/C17H18FNO2S/c1-2-12-3-4-13(9-15(12)18)14-10-16(22-11-14)17(20)19-5-7-21-8-6-19/h3-4,9-11H,2,5-8H2,1H3
InChIKeyGILYVYKJHPBBIR-UHFFFAOYSA-N
XLogP3.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Phenyl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 2740735
(2-Benzylsulfanylphenyl)-morpholin-4-ylmethanone
CID 563441
[4-(5-Ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]-phenylmethanone
CID 4780261
[2-[(4-Fluorophenyl)methylsulfanyl]phenyl]-morpholin-4-ylmethanone
CID 778212
(Z)-4-methyl-N-(1-(3-methylthiophen-2-yl)-3-((3-morpholinopropyl)amino)-3-oxoprop-1-en-2-yl)benzamide
CID 2891946
4-Biphenyl-4-yl-thiophene-2-carboxylic acid (2-morpholin-4-yl-ethyl)-amide
CID 10091931
4-(4-Cyclohexyl-phenyl)-thiophene-2-carboxylic acid (2-morpholin-4-yl-ethyl)-amide
CID 10408590
N,N-Diethyl-4-(piperidin-4-ylidene-thiophen-2-yl-methyl)-benzamide
CID 10760626
4-(4''-Acetyl-biphenyl-4-yl)-thiophene-2-carboxylic acid (2-morpholin-4-yl-ethyl)-amide
CID 44389246
US10501473, Example 39
CID 129160740
Benzo[b]thiophen-2-yl(morpholino)methanone
CID 2798285
2,2-Diphenyl-1-[4-(thiophene-2-carbonyl)-piperazin-1-yl]-ethanone
CID 1147951

Frequently Asked Questions

What is the IUPAC name of [4-(4-ethyl-3-fluorophenyl)thiophen-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(4-ethyl-3-fluorophenyl)thiophen-2-yl]-morpholin-4-ylmethanone (CID 130252807) is [4-(4-ethyl-3-fluorophenyl)thiophen-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(4-ethyl-3-fluorophenyl)thiophen-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(4-ethyl-3-fluorophenyl)thiophen-2-yl]-morpholin-4-ylmethanone is CCc1ccc(-c2csc(C(=O)N3CCOCC3)c2)cc1F.
What is the InChIKey of [4-(4-ethyl-3-fluorophenyl)thiophen-2-yl]-morpholin-4-ylmethanone?
The InChIKey is GILYVYKJHPBBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2S/c1-2-12-3-4-13(9-15(12)18)14-10-16(22-11-14)17(20)19-5-7-21-8-6-19/h3-4,9-11H,2,5-8H2,1H3.
What are the key properties of [4-(4-ethyl-3-fluorophenyl)thiophen-2-yl]-morpholin-4-ylmethanone?
[4-(4-ethyl-3-fluorophenyl)thiophen-2-yl]-morpholin-4-ylmethanone has a molecular weight of 319.40 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-ethyl-3-fluorophenyl)thiophen-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 130252807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).