5-[2-(4-fluorophenyl)-6-methylmorpholine-4-carbonyl]thiophene-2-carboxylic acid

C17H16FNO4S — CID 119186255

IUPAC5-[2-(4-fluorophenyl)-6-methylmorpholine-4-carbonyl]thiophene-2-carboxylic acid
SMILESCC1CN(C(=O)c2ccc(C(=O)O)s2)CC(c2ccc(F)cc2)O1
InChIInChI=1S/C17H16FNO4S/c1-10-8-19(16(20)14-6-7-15(24-14)17(21)22)9-13(23-10)11-2-4-12(18)5-3-11/h2-7,10,13H,8-9H2,1H3,(H,21,22)
InChIKeyGVXZPUMOXLKASE-UHFFFAOYSA-N
MW349.38 g/mol
LogP3.19
Rot. Bonds3

About 5-[2-(4-fluorophenyl)-6-methylmorpholine-4-carbonyl]thiophene-2-carboxylic acid

5-[2-(4-fluorophenyl)-6-methylmorpholine-4-carbonyl]thiophene-2-carboxylic acid (PubChem CID 119186255) has the molecular formula C17H16FNO4S and a molecular weight of 349.38 g/mol. Its IUPAC name is 5-[2-(4-fluorophenyl)-6-methylmorpholine-4-carbonyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(4-fluorophenyl)-6-methylmorpholine-4-carbonyl]thiophene-2-carboxylic acid
PubChem CID119186255
Molecular FormulaC17H16FNO4S
Molecular Weight349.38 g/mol
Exact Mass349.08
IUPAC Name5-[2-(4-fluorophenyl)-6-methylmorpholine-4-carbonyl]thiophene-2-carboxylic acid
SMILESCC1CN(C(=O)c2ccc(C(=O)O)s2)CC(c2ccc(F)cc2)O1
InChIInChI=1S/C17H16FNO4S/c1-10-8-19(16(20)14-6-7-15(24-14)17(21)22)9-13(23-10)11-2-4-12(18)5-3-11/h2-7,10,13H,8-9H2,1H3,(H,21,22)
InChIKeyGVXZPUMOXLKASE-UHFFFAOYSA-N
XLogP3.19
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-Fluorophenyl)-2-(2-methoxyethylamino)-2-oxoethyl] thiophene-2-carboxylate
CID 3220334
methyl 5-[3-[(5R)-3,3-difluoro-5-[(E,3S,4S)-3-hydroxy-4-methyl-5-phenylpent-1-enyl]-2-oxopyrrolidin-1-yl]propyl]thiophene-2-carboxylate
CID 90054462
[1-{[5-(Methoxymethyl)-2-thienyl]carbonyl}-3-(2-phenylethyl)-3-piperidinyl]methanol
CID 24819300
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
2-Thienyl(3-{[4-(trifluoromethyl)benzyl]oxy}piperidino)methanone
CID 46028660
methyl 5-[3-[(5R)-3,3-difluoro-5-[(E,3R,4S)-3-hydroxy-4-methyl-5-phenylpent-1-enyl]-2-oxopyrrolidin-1-yl]propyl]thiophene-2-carboxylate
CID 121493730
[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
[3-[(2,5-Difluorophenyl)methoxy]piperidin-1-yl]-thiophen-2-ylmethanone
CID 46029051
4-{2-[(3-Fluorophenyl)methoxy]ethyl}-1-(3-methylthiophene-2-carbonyl)piperidine
CID 53150625

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluorophenyl)-6-methylmorpholine-4-carbonyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[2-(4-fluorophenyl)-6-methylmorpholine-4-carbonyl]thiophene-2-carboxylic acid (CID 119186255) is 5-[2-(4-fluorophenyl)-6-methylmorpholine-4-carbonyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[2-(4-fluorophenyl)-6-methylmorpholine-4-carbonyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[2-(4-fluorophenyl)-6-methylmorpholine-4-carbonyl]thiophene-2-carboxylic acid is CC1CN(C(=O)c2ccc(C(=O)O)s2)CC(c2ccc(F)cc2)O1.
What is the InChIKey of 5-[2-(4-fluorophenyl)-6-methylmorpholine-4-carbonyl]thiophene-2-carboxylic acid?
The InChIKey is GVXZPUMOXLKASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO4S/c1-10-8-19(16(20)14-6-7-15(24-14)17(21)22)9-13(23-10)11-2-4-12(18)5-3-11/h2-7,10,13H,8-9H2,1H3,(H,21,22).
What are the key properties of 5-[2-(4-fluorophenyl)-6-methylmorpholine-4-carbonyl]thiophene-2-carboxylic acid?
5-[2-(4-fluorophenyl)-6-methylmorpholine-4-carbonyl]thiophene-2-carboxylic acid has a molecular weight of 349.38 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluorophenyl)-6-methylmorpholine-4-carbonyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 119186255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).