(2S)-2-(2,5-dichlorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)propanamide

C19H20Cl2N2O2S — CID 7870535

IUPAC(2S)-2-(2,5-dichlorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)propanamide
SMILESC[C@H](Sc1cc(Cl)ccc1Cl)C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H20Cl2N2O2S/c1-13(26-18-12-14(20)2-7-17(18)21)19(24)22-15-3-5-16(6-4-15)23-8-10-25-11-9-23/h2-7,12-13H,8-11H2,1H3,(H,22,24)/t13-/m0/s1
InChIKeyPVTFPAWCJJROBS-ZDUSSCGKSA-N
MW411.35 g/mol
LogP4.95
Rot. Bonds5

About (2S)-2-(2,5-dichlorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)propanamide

(2S)-2-(2,5-dichlorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)propanamide (PubChem CID 7870535) has the molecular formula C19H20Cl2N2O2S and a molecular weight of 411.35 g/mol. Its IUPAC name is (2S)-2-(2,5-dichlorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2,5-dichlorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)propanamide
PubChem CID7870535
Molecular FormulaC19H20Cl2N2O2S
Molecular Weight411.35 g/mol
Exact Mass410.06
IUPAC Name(2S)-2-(2,5-dichlorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)propanamide
SMILESC[C@H](Sc1cc(Cl)ccc1Cl)C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H20Cl2N2O2S/c1-13(26-18-12-14(20)2-7-17(18)21)19(24)22-15-3-5-16(6-4-15)23-8-10-25-11-9-23/h2-7,12-13H,8-11H2,1H3,(H,22,24)/t13-/m0/s1
InChIKeyPVTFPAWCJJROBS-ZDUSSCGKSA-N
XLogP4.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.35
LogP ≤ 54.95
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-morpholin-4-ylphenyl)-2-phenylsulfanylpropanamide
CID 2079704
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-morpholin-4-ylphenyl)propanamide
CID 42974601
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(4-morpholin-4-ylphenyl)propanamide
CID 42918559
(2R)-2-(2,5-dichlorophenyl)sulfanyl-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 2486517
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
N-(4-morpholin-4-ylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
CID 17442128
(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)propanamide
CID 2127030
(2S)-2-(2,5-dichlorophenyl)sulfanyl-N-(3-methylphenyl)propanamide
CID 7870527
(2S)-2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-morpholin-4-ylphenyl)propanamide
CID 2125020
2-(2,5-dichlorophenyl)sulfanyl-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 30857693
(2S)-2-(2,5-dichlorophenyl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 8736548

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,5-dichlorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)propanamide?
The IUPAC name of (2S)-2-(2,5-dichlorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)propanamide (CID 7870535) is (2S)-2-(2,5-dichlorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(2,5-dichlorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)propanamide?
The canonical SMILES for (2S)-2-(2,5-dichlorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)propanamide is C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of (2S)-2-(2,5-dichlorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)propanamide?
The InChIKey is PVTFPAWCJJROBS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20Cl2N2O2S/c1-13(26-18-12-14(20)2-7-17(18)21)19(24)22-15-3-5-16(6-4-15)23-8-10-25-11-9-23/h2-7,12-13H,8-11H2,1H3,(H,22,24)/t13-/m0/s1.
What are the key properties of (2S)-2-(2,5-dichlorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)propanamide?
(2S)-2-(2,5-dichlorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)propanamide has a molecular weight of 411.35 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,5-dichlorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)propanamide is sourced from PubChem (CID 7870535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).