(2S)-4-[2-(2-fluorophenyl)acetyl]-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide

C24H23FN2O3S — CID 92572513

IUPAC(2S)-4-[2-(2-fluorophenyl)acetyl]-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide
SMILESNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CN(C(=O)Cc2ccccc2F)CCO1
InChIInChI=1S/C24H23FN2O3S/c25-20-5-2-1-4-19(20)14-22(28)27-11-12-30-24(16-27,23(26)29)15-17-7-9-18(10-8-17)21-6-3-13-31-21/h1-10,13H,11-12,14-16H2,(H2,26,29)/t24-/m0/s1
InChIKeyAWOSBNLZGYGAFJ-DEOSSOPVSA-N
MW438.52 g/mol
LogP3.42
Rot. Bonds6

About (2S)-4-[2-(2-fluorophenyl)acetyl]-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide

(2S)-4-[2-(2-fluorophenyl)acetyl]-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide (PubChem CID 92572513) has the molecular formula C24H23FN2O3S and a molecular weight of 438.52 g/mol. Its IUPAC name is (2S)-4-[2-(2-fluorophenyl)acetyl]-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-[2-(2-fluorophenyl)acetyl]-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide
PubChem CID92572513
Molecular FormulaC24H23FN2O3S
Molecular Weight438.52 g/mol
Exact Mass438.14
IUPAC Name(2S)-4-[2-(2-fluorophenyl)acetyl]-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide
SMILESNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CN(C(=O)Cc2ccccc2F)CCO1
InChIInChI=1S/C24H23FN2O3S/c25-20-5-2-1-4-19(20)14-22(28)27-11-12-30-24(16-27,23(26)29)15-17-7-9-18(10-8-17)21-6-3-13-31-21/h1-10,13H,11-12,14-16H2,(H2,26,29)/t24-/m0/s1
InChIKeyAWOSBNLZGYGAFJ-DEOSSOPVSA-N
XLogP3.42
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-Oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(4-fluorophenyl)acetate
CID 7604242
[2-[[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] 2-(4-methylphenyl)acetate
CID 8405721
[2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] 2-(4-methylphenyl)acetate
CID 8405728
1-[(2R)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]-4-thiophen-2-ylbutan-1-one
CID 26391349
1-[(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]-4-thiophen-2-ylbutan-1-one
CID 26391350
2-(3-Fluorobenzyl)-4-[4-(2-thienyl)butanoyl]morpholine
CID 45245353
[2-[[(4-Fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] 2-(4-methylphenyl)acetate
CID 46608832
3-(3-fluorophenyl)-N,4-dimethyl-5-oxo-N-(thiophen-2-ylmethyl)morpholine-2-carboxamide
CID 60182066
3-(2-fluorophenyl)-4-methyl-5-oxo-N-(thiophen-2-ylmethyl)morpholine-2-carboxamide
CID 71689458
3-(4-fluorophenyl)-N,4-dimethyl-5-oxo-N-(thiophen-2-ylmethyl)morpholine-2-carboxamide
CID 75360975
(2R)-4-[2-(2-fluorophenyl)acetyl]-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide
CID 92572512
(2R,3R)-3-(2-fluorophenyl)-4-methyl-5-oxo-N-(thiophen-2-ylmethyl)morpholine-2-carboxamide
CID 95739743

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[2-(2-fluorophenyl)acetyl]-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide?
The IUPAC name of (2S)-4-[2-(2-fluorophenyl)acetyl]-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide (CID 92572513) is (2S)-4-[2-(2-fluorophenyl)acetyl]-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide.
What is the SMILES notation for (2S)-4-[2-(2-fluorophenyl)acetyl]-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide?
The canonical SMILES for (2S)-4-[2-(2-fluorophenyl)acetyl]-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide is NC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CN(C(=O)Cc2ccccc2F)CCO1.
What is the InChIKey of (2S)-4-[2-(2-fluorophenyl)acetyl]-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide?
The InChIKey is AWOSBNLZGYGAFJ-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H23FN2O3S/c25-20-5-2-1-4-19(20)14-22(28)27-11-12-30-24(16-27,23(26)29)15-17-7-9-18(10-8-17)21-6-3-13-31-21/h1-10,13H,11-12,14-16H2,(H2,26,29)/t24-/m0/s1.
What are the key properties of (2S)-4-[2-(2-fluorophenyl)acetyl]-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide?
(2S)-4-[2-(2-fluorophenyl)acetyl]-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide has a molecular weight of 438.52 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[2-(2-fluorophenyl)acetyl]-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide is sourced from PubChem (CID 92572513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).