(2S)-2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide

C21H24ClFN2O2S — CID 27811203

IUPAC(2S)-2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide
SMILESC[C@H](Sc1ccc(Cl)cc1)C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C21H24ClFN2O2S/c1-15(28-19-8-4-17(22)5-9-19)21(26)24-14-20(25-10-12-27-13-11-25)16-2-6-18(23)7-3-16/h2-9,15,20H,10-14H2,1H3,(H,24,26)/t15-,20-/m0/s1
InChIKeyVTDCXIZLCILRHJ-YWZLYKJASA-N
MW422.95 g/mol
LogP4.15
Rot. Bonds7

About (2S)-2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide

(2S)-2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide (PubChem CID 27811203) has the molecular formula C21H24ClFN2O2S and a molecular weight of 422.95 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide
PubChem CID27811203
Molecular FormulaC21H24ClFN2O2S
Molecular Weight422.95 g/mol
Exact Mass422.12
IUPAC Name(2S)-2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide
SMILESC[C@H](Sc1ccc(Cl)cc1)C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C21H24ClFN2O2S/c1-15(28-19-8-4-17(22)5-9-19)21(26)24-14-20(25-10-12-27-13-11-25)16-2-6-18(23)7-3-16/h2-9,15,20H,10-14H2,1H3,(H,24,26)/t15-,20-/m0/s1
InChIKeyVTDCXIZLCILRHJ-YWZLYKJASA-N
XLogP4.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.95
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 42910246
2-(4-chlorophenyl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 24647045
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylpropanamide
CID 30334846
N-[(2R)-1-[[(2S)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 52508551
N-[(2S)-1-[[(2R)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 52508548
(2R)-2-amino-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 119867147
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-fluorophenyl)acetamide
CID 112503799
1-[2-(4-chlorophenyl)ethyl]-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]urea
CID 42928186
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119867154
1-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-(2-methylpropyl)urea
CID 110621889
5-chloro-2-fluoro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzamide
CID 17460307
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 47459894

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide?
The IUPAC name of (2S)-2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide (CID 27811203) is (2S)-2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide.
What is the SMILES notation for (2S)-2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide?
The canonical SMILES for (2S)-2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide is C[C@H](Sc1ccc(Cl)cc1)C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1.
What is the InChIKey of (2S)-2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide?
The InChIKey is VTDCXIZLCILRHJ-YWZLYKJASA-N. The full InChI is InChI=1S/C21H24ClFN2O2S/c1-15(28-19-8-4-17(22)5-9-19)21(26)24-14-20(25-10-12-27-13-11-25)16-2-6-18(23)7-3-16/h2-9,15,20H,10-14H2,1H3,(H,24,26)/t15-,20-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide?
(2S)-2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide has a molecular weight of 422.95 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide is sourced from PubChem (CID 27811203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).