(2R)-N-(4-morpholin-4-ylphenyl)-2-phenylsulfanylpropanamide

C19H22N2O2S — CID 2079704

IUPAC(2R)-N-(4-morpholin-4-ylphenyl)-2-phenylsulfanylpropanamide
SMILESC[C@@H](Sc1ccccc1)C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H22N2O2S/c1-15(24-18-5-3-2-4-6-18)19(22)20-16-7-9-17(10-8-16)21-11-13-23-14-12-21/h2-10,15H,11-14H2,1H3,(H,20,22)/t15-/m1/s1
InChIKeyQNNPHTUGTYCISY-OAHLLOKOSA-N
MW342.46 g/mol
LogP3.64
Rot. Bonds5

About (2R)-N-(4-morpholin-4-ylphenyl)-2-phenylsulfanylpropanamide

(2R)-N-(4-morpholin-4-ylphenyl)-2-phenylsulfanylpropanamide (PubChem CID 2079704) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is (2R)-N-(4-morpholin-4-ylphenyl)-2-phenylsulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-(4-morpholin-4-ylphenyl)-2-phenylsulfanylpropanamide
PubChem CID2079704
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name(2R)-N-(4-morpholin-4-ylphenyl)-2-phenylsulfanylpropanamide
SMILESC[C@@H](Sc1ccccc1)C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H22N2O2S/c1-15(24-18-5-3-2-4-6-18)19(22)20-16-7-9-17(10-8-16)21-11-13-23-14-12-21/h2-10,15H,11-14H2,1H3,(H,20,22)/t15-/m1/s1
InChIKeyQNNPHTUGTYCISY-OAHLLOKOSA-N
XLogP3.64
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-phenylsulfanylpropanamide
CID 42297885
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(4-morpholin-4-ylphenyl)propanamide
CID 42918559
N-phenyl-2-phenylsulfanylpropanamide
CID 2889315
(2S)-2-(1-benzylimidazol-2-yl)sulfanyl-N-(4-morpholin-4-ylphenyl)propanamide
CID 25339313
(2R)-N-(4-morpholin-4-ylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide
CID 2474766
(2S)-2-(2,5-dichlorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)propanamide
CID 7870535
(2S)-N-(4-morpholin-4-ylphenyl)-2-(4-phenylanilino)propanamide
CID 7509574
(2S)-N-(4-morpholin-4-ylphenyl)-2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 40966971
2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-phenylpropanamide
CID 650940
2-amino-N-(4-morpholin-4-ylphenyl)propanamide
CID 60638930
(2S)-N-(4-morpholin-4-ylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 7990405
2-[1-(2-fluorophenyl)ethylsulfanyl]-N-(4-morpholin-4-ylphenyl)propanamide
CID 49154044

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-morpholin-4-ylphenyl)-2-phenylsulfanylpropanamide?
The IUPAC name of (2R)-N-(4-morpholin-4-ylphenyl)-2-phenylsulfanylpropanamide (CID 2079704) is (2R)-N-(4-morpholin-4-ylphenyl)-2-phenylsulfanylpropanamide.
What is the SMILES notation for (2R)-N-(4-morpholin-4-ylphenyl)-2-phenylsulfanylpropanamide?
The canonical SMILES for (2R)-N-(4-morpholin-4-ylphenyl)-2-phenylsulfanylpropanamide is C[C@@H](Sc1ccccc1)C(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of (2R)-N-(4-morpholin-4-ylphenyl)-2-phenylsulfanylpropanamide?
The InChIKey is QNNPHTUGTYCISY-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-15(24-18-5-3-2-4-6-18)19(22)20-16-7-9-17(10-8-16)21-11-13-23-14-12-21/h2-10,15H,11-14H2,1H3,(H,20,22)/t15-/m1/s1.
What are the key properties of (2R)-N-(4-morpholin-4-ylphenyl)-2-phenylsulfanylpropanamide?
(2R)-N-(4-morpholin-4-ylphenyl)-2-phenylsulfanylpropanamide has a molecular weight of 342.46 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-morpholin-4-ylphenyl)-2-phenylsulfanylpropanamide is sourced from PubChem (CID 2079704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).