3-(4-fluorophenyl)-N,4-dimethyl-5-oxo-N-(thiophen-2-ylmethyl)morpholine-2-carboxamide

C18H19FN2O3S — CID 75360975

IUPAC3-(4-fluorophenyl)-N,4-dimethyl-5-oxo-N-(thiophen-2-ylmethyl)morpholine-2-carboxamide
SMILESCN(Cc1cccs1)C(=O)C1OCC(=O)N(C)C1c1ccc(F)cc1
InChIInChI=1S/C18H19FN2O3S/c1-20(10-14-4-3-9-25-14)18(23)17-16(21(2)15(22)11-24-17)12-5-7-13(19)8-6-12/h3-9,16-17H,10-11H2,1-2H3
InChIKeyCUSHWRHSQWHSBQ-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.44
Rot. Bonds4

About 3-(4-fluorophenyl)-N,4-dimethyl-5-oxo-N-(thiophen-2-ylmethyl)morpholine-2-carboxamide

3-(4-fluorophenyl)-N,4-dimethyl-5-oxo-N-(thiophen-2-ylmethyl)morpholine-2-carboxamide (PubChem CID 75360975) has the molecular formula C18H19FN2O3S and a molecular weight of 362.43 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N,4-dimethyl-5-oxo-N-(thiophen-2-ylmethyl)morpholine-2-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N,4-dimethyl-5-oxo-N-(thiophen-2-ylmethyl)morpholine-2-carboxamide
PubChem CID75360975
Molecular FormulaC18H19FN2O3S
Molecular Weight362.43 g/mol
Exact Mass362.11
IUPAC Name3-(4-fluorophenyl)-N,4-dimethyl-5-oxo-N-(thiophen-2-ylmethyl)morpholine-2-carboxamide
SMILESCN(Cc1cccs1)C(=O)C1OCC(=O)N(C)C1c1ccc(F)cc1
InChIInChI=1S/C18H19FN2O3S/c1-20(10-14-4-3-9-25-14)18(23)17-16(21(2)15(22)11-24-17)12-5-7-13(19)8-6-12/h3-9,16-17H,10-11H2,1-2H3
InChIKeyCUSHWRHSQWHSBQ-UHFFFAOYSA-N
XLogP2.44
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Fluorophenyl)-N-[1-(morpholin-4-YL)-1-(thiophen-2-YL)propan-2-YL]acetamide
CID 6710476
5-(2-fluorophenyl)-3-hydroxy-1-(3-morpholinopropyl)-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one
CID 2909795
5-(4-fluorophenyl)-3-hydroxy-1-(3-morpholinopropyl)-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one
CID 2908691
[2-[1-(4-Fluorophenyl)ethylamino]-2-oxoethyl] 2-thiophen-2-ylacetate
CID 25161531
N-cyclopentyl-4-fluoro-N-[[4-(thiophene-2-carbonyl)morpholin-2-yl]methyl]benzamide
CID 46059752
1-(3-Phenylmorpholin-4-yl)-4-thiophen-2-ylbutane-1,4-dione
CID 71993259
1-(3-Phenylmorpholin-4-yl)-2-thiophen-2-ylethanone
CID 71993260
[4-[2-(4-Fluorophenyl)-2-(thiophen-2-ylmethylamino)ethyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51000744
2-(3-Phenylpropyl)-4-[3-(2-thienyl)propanoyl]morpholine
CID 45248006
3-(Cyclopropylmethoxy)-1-[1-(3-methylthiophene-2-carbonyl)piperidin-4-YL]-1-azaspiro[3.5]nonan-2-one
CID 124053938
(4aS,9aS)-4-benzyl-7-(thiophen-2-ylmethyl)-4a,5,6,8,9,9a-hexahydro-[1,4]oxazino[2,3-d]azepin-3-one
CID 134807952
(S)-5-(o-fluorophenyl)-3-hydroxy-1-(3-morpholinopropyl)-4-(2-thenoyl)-3-pyrrolin-2-one
CID 1156161

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N,4-dimethyl-5-oxo-N-(thiophen-2-ylmethyl)morpholine-2-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N,4-dimethyl-5-oxo-N-(thiophen-2-ylmethyl)morpholine-2-carboxamide (CID 75360975) is 3-(4-fluorophenyl)-N,4-dimethyl-5-oxo-N-(thiophen-2-ylmethyl)morpholine-2-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N,4-dimethyl-5-oxo-N-(thiophen-2-ylmethyl)morpholine-2-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N,4-dimethyl-5-oxo-N-(thiophen-2-ylmethyl)morpholine-2-carboxamide is CN(Cc1cccs1)C(=O)C1OCC(=O)N(C)C1c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N,4-dimethyl-5-oxo-N-(thiophen-2-ylmethyl)morpholine-2-carboxamide?
The InChIKey is CUSHWRHSQWHSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3S/c1-20(10-14-4-3-9-25-14)18(23)17-16(21(2)15(22)11-24-17)12-5-7-13(19)8-6-12/h3-9,16-17H,10-11H2,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-N,4-dimethyl-5-oxo-N-(thiophen-2-ylmethyl)morpholine-2-carboxamide?
3-(4-fluorophenyl)-N,4-dimethyl-5-oxo-N-(thiophen-2-ylmethyl)morpholine-2-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N,4-dimethyl-5-oxo-N-(thiophen-2-ylmethyl)morpholine-2-carboxamide is sourced from PubChem (CID 75360975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).