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

C17H17FN2O3S — CID 95739746

IUPAC(2S,3S)-3-(2-fluorophenyl)-4-methyl-5-oxo-N-(thiophen-2-ylmethyl)morpholine-2-carboxamide
SMILESCN1C(=O)CO[C@H](C(=O)NCc2cccs2)[C@@H]1c1ccccc1F
InChIInChI=1S/C17H17FN2O3S/c1-20-14(21)10-23-16(15(20)12-6-2-3-7-13(12)18)17(22)19-9-11-5-4-8-24-11/h2-8,15-16H,9-10H2,1H3,(H,19,22)/t15-,16-/m0/s1
InChIKeyNPDONOZYORSMCQ-HOTGVXAUSA-N
MW348.40 g/mol
LogP2.10
Rot. Bonds4

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

(2S,3S)-3-(2-fluorophenyl)-4-methyl-5-oxo-N-(thiophen-2-ylmethyl)morpholine-2-carboxamide (PubChem CID 95739746) has the molecular formula C17H17FN2O3S and a molecular weight of 348.40 g/mol. Its IUPAC name is (2S,3S)-3-(2-fluorophenyl)-4-methyl-5-oxo-N-(thiophen-2-ylmethyl)morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,3S)-3-(2-fluorophenyl)-4-methyl-5-oxo-N-(thiophen-2-ylmethyl)morpholine-2-carboxamide
PubChem CID95739746
Molecular FormulaC17H17FN2O3S
Molecular Weight348.40 g/mol
Exact Mass348.09
IUPAC Name(2S,3S)-3-(2-fluorophenyl)-4-methyl-5-oxo-N-(thiophen-2-ylmethyl)morpholine-2-carboxamide
SMILESCN1C(=O)CO[C@H](C(=O)NCc2cccs2)[C@@H]1c1ccccc1F
InChIInChI=1S/C17H17FN2O3S/c1-20-14(21)10-23-16(15(20)12-6-2-3-7-13(12)18)17(22)19-9-11-5-4-8-24-11/h2-8,15-16H,9-10H2,1H3,(H,19,22)/t15-,16-/m0/s1
InChIKeyNPDONOZYORSMCQ-HOTGVXAUSA-N
XLogP2.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 2364508
(2-morpholin-4-yl-2-oxoethyl) (2S)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate
CID 2097635
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 2490629
[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl] 3-phenyl-2-(thiophene-2-carbonylamino)propanoate
CID 4310744
1-Morpholin-4-yl-2-phenyl-3-(thiophen-3-ylmethylamino)propan-1-one
CID 72022523
[2-Oxo-2-(1-phenylethylamino)ethyl] 2-thiophen-3-ylacetate
CID 3704975
2-(4-Fluorophenyl)-N-[1-(morpholin-4-YL)-1-(thiophen-2-YL)propan-2-YL]acetamide
CID 6710476
[2-[(4-Fluorophenyl)methylamino]-2-oxoethyl] 2-thiophen-2-ylacetate
CID 16540250
2-(3-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide
CID 4784852
2-(4-fluorophenyl)-N-(2-morpholino-2-(thiophen-3-yl)ethyl)acetamide
CID 16931692
[2-[1-(4-Fluorophenyl)ethylamino]-2-oxoethyl] 2-thiophen-2-ylacetate
CID 25161531
1-(3-Phenylmorpholin-4-yl)-2-thiophen-2-ylethanone
CID 71993260

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-(2-fluorophenyl)-4-methyl-5-oxo-N-(thiophen-2-ylmethyl)morpholine-2-carboxamide?
The IUPAC name of (2S,3S)-3-(2-fluorophenyl)-4-methyl-5-oxo-N-(thiophen-2-ylmethyl)morpholine-2-carboxamide (CID 95739746) is (2S,3S)-3-(2-fluorophenyl)-4-methyl-5-oxo-N-(thiophen-2-ylmethyl)morpholine-2-carboxamide.
What is the SMILES notation for (2S,3S)-3-(2-fluorophenyl)-4-methyl-5-oxo-N-(thiophen-2-ylmethyl)morpholine-2-carboxamide?
The canonical SMILES for (2S,3S)-3-(2-fluorophenyl)-4-methyl-5-oxo-N-(thiophen-2-ylmethyl)morpholine-2-carboxamide is CN1C(=O)CO[C@H](C(=O)NCc2cccs2)[C@@H]1c1ccccc1F.
What is the InChIKey of (2S,3S)-3-(2-fluorophenyl)-4-methyl-5-oxo-N-(thiophen-2-ylmethyl)morpholine-2-carboxamide?
The InChIKey is NPDONOZYORSMCQ-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H17FN2O3S/c1-20-14(21)10-23-16(15(20)12-6-2-3-7-13(12)18)17(22)19-9-11-5-4-8-24-11/h2-8,15-16H,9-10H2,1H3,(H,19,22)/t15-,16-/m0/s1.
What are the key properties of (2S,3S)-3-(2-fluorophenyl)-4-methyl-5-oxo-N-(thiophen-2-ylmethyl)morpholine-2-carboxamide?
(2S,3S)-3-(2-fluorophenyl)-4-methyl-5-oxo-N-(thiophen-2-ylmethyl)morpholine-2-carboxamide has a molecular weight of 348.40 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-(2-fluorophenyl)-4-methyl-5-oxo-N-(thiophen-2-ylmethyl)morpholine-2-carboxamide is sourced from PubChem (CID 95739746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).