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

C18H19FN2O3S — CID 95739886

IUPAC(2R,3R)-3-(3-fluorophenyl)-N,4-dimethyl-5-oxo-N-(thiophen-2-ylmethyl)morpholine-2-carboxamide
SMILESCN(Cc1cccs1)C(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1cccc(F)c1
InChIInChI=1S/C18H19FN2O3S/c1-20(10-14-7-4-8-25-14)18(23)17-16(21(2)15(22)11-24-17)12-5-3-6-13(19)9-12/h3-9,16-17H,10-11H2,1-2H3/t16-,17-/m1/s1
InChIKeyVACMKVYGCNDYFS-IAGOWNOFSA-N
MW362.43 g/mol
LogP2.44
Rot. Bonds4

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

(2R,3R)-3-(3-fluorophenyl)-N,4-dimethyl-5-oxo-N-(thiophen-2-ylmethyl)morpholine-2-carboxamide (PubChem CID 95739886) has the molecular formula C18H19FN2O3S and a molecular weight of 362.43 g/mol. Its IUPAC name is (2R,3R)-3-(3-fluorophenyl)-N,4-dimethyl-5-oxo-N-(thiophen-2-ylmethyl)morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R,3R)-3-(3-fluorophenyl)-N,4-dimethyl-5-oxo-N-(thiophen-2-ylmethyl)morpholine-2-carboxamide
PubChem CID95739886
Molecular FormulaC18H19FN2O3S
Molecular Weight362.43 g/mol
Exact Mass362.11
IUPAC Name(2R,3R)-3-(3-fluorophenyl)-N,4-dimethyl-5-oxo-N-(thiophen-2-ylmethyl)morpholine-2-carboxamide
SMILESCN(Cc1cccs1)C(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1cccc(F)c1
InChIInChI=1S/C18H19FN2O3S/c1-20(10-14-7-4-8-25-14)18(23)17-16(21(2)15(22)11-24-17)12-5-3-6-13(19)9-12/h3-9,16-17H,10-11H2,1-2H3/t16-,17-/m1/s1
InChIKeyVACMKVYGCNDYFS-IAGOWNOFSA-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

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

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Related Compounds

2-(3-fluorophenyl)-1-methyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 71689628
(5R,6S)-5-(3-fluorophenyl)-4-methyl-6-(pyrrolidine-1-carbonyl)morpholin-3-one
CID 95740004
3-(3-fluorophenyl)-N-(3-hydroxypropyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 71689506
(2S,3S)-3-(3-fluorophenyl)-N-(3-hydroxypropyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 95739961
(2S,3R)-N-butyl-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 95739924
(2S,3S)-N-cyclopentyl-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 95739933
(2R,3R)-N-cyclopentyl-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 95739930
3-(3-fluorophenyl)-N-(3-methoxypropyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 71689508
N-(2,5-dimethylpyrazol-3-yl)-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 71689485
(2S,3R)-3-(4-fluorophenyl)-N,N,4-trimethyl-5-oxomorpholine-2-carboxamide
CID 97457525
N-[(3-fluorophenyl)methyl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 56730602
(2S,3S)-3-(3-fluorophenyl)-4-methyl-N-(1-methylpyrazol-4-yl)-5-oxomorpholine-2-carboxamide
CID 95739882

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-(3-fluorophenyl)-N,4-dimethyl-5-oxo-N-(thiophen-2-ylmethyl)morpholine-2-carboxamide?
The IUPAC name of (2R,3R)-3-(3-fluorophenyl)-N,4-dimethyl-5-oxo-N-(thiophen-2-ylmethyl)morpholine-2-carboxamide (CID 95739886) is (2R,3R)-3-(3-fluorophenyl)-N,4-dimethyl-5-oxo-N-(thiophen-2-ylmethyl)morpholine-2-carboxamide.
What is the SMILES notation for (2R,3R)-3-(3-fluorophenyl)-N,4-dimethyl-5-oxo-N-(thiophen-2-ylmethyl)morpholine-2-carboxamide?
The canonical SMILES for (2R,3R)-3-(3-fluorophenyl)-N,4-dimethyl-5-oxo-N-(thiophen-2-ylmethyl)morpholine-2-carboxamide is CN(Cc1cccs1)C(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1cccc(F)c1.
What is the InChIKey of (2R,3R)-3-(3-fluorophenyl)-N,4-dimethyl-5-oxo-N-(thiophen-2-ylmethyl)morpholine-2-carboxamide?
The InChIKey is VACMKVYGCNDYFS-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H19FN2O3S/c1-20(10-14-7-4-8-25-14)18(23)17-16(21(2)15(22)11-24-17)12-5-3-6-13(19)9-12/h3-9,16-17H,10-11H2,1-2H3/t16-,17-/m1/s1.
What are the key properties of (2R,3R)-3-(3-fluorophenyl)-N,4-dimethyl-5-oxo-N-(thiophen-2-ylmethyl)morpholine-2-carboxamide?
(2R,3R)-3-(3-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 (2R,3R)-3-(3-fluorophenyl)-N,4-dimethyl-5-oxo-N-(thiophen-2-ylmethyl)morpholine-2-carboxamide is sourced from PubChem (CID 95739886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).