N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(pyridin-2-ylmethylsulfanyl)propanamide

C21H26ClN3O2S — CID 55825162

IUPACN-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(pyridin-2-ylmethylsulfanyl)propanamide
SMILESO=C(CCSCc1ccccn1)NCC(c1ccccc1Cl)N1CCOCC1
InChIInChI=1S/C21H26ClN3O2S/c22-19-7-2-1-6-18(19)20(25-10-12-27-13-11-25)15-24-21(26)8-14-28-16-17-5-3-4-9-23-17/h1-7,9,20H,8,10-16H2,(H,24,26)
InChIKeyQBGOUJHSCHUDAW-UHFFFAOYSA-N
MW419.98 g/mol
LogP3.55
Rot. Bonds9

About N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(pyridin-2-ylmethylsulfanyl)propanamide

N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(pyridin-2-ylmethylsulfanyl)propanamide (PubChem CID 55825162) has the molecular formula C21H26ClN3O2S and a molecular weight of 419.98 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(pyridin-2-ylmethylsulfanyl)propanamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(pyridin-2-ylmethylsulfanyl)propanamide
PubChem CID55825162
Molecular FormulaC21H26ClN3O2S
Molecular Weight419.98 g/mol
Exact Mass419.14
IUPAC NameN-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(pyridin-2-ylmethylsulfanyl)propanamide
SMILESO=C(CCSCc1ccccn1)NCC(c1ccccc1Cl)N1CCOCC1
InChIInChI=1S/C21H26ClN3O2S/c22-19-7-2-1-6-18(19)20(25-10-12-27-13-11-25)15-24-21(26)8-14-28-16-17-5-3-4-9-23-17/h1-7,9,20H,8,10-16H2,(H,24,26)
InChIKeyQBGOUJHSCHUDAW-UHFFFAOYSA-N
XLogP3.55
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.98
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]pentanamide
CID 35041740
N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
CID 37050457
2-amino-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]acetamide;dihydrochloride
CID 119849627
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(4-methylphenyl)propanamide
CID 39590991
N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]pyridine-4-carboxamide
CID 37050347
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(3-methylphenyl)propanamide
CID 51937855
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 55609844
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,2-dimethylpropanamide
CID 37054001
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-fluorophenoxy)acetamide
CID 35041725
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 138995301
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(2-nitrophenyl)acetamide
CID 37051019
ethyl N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]carbamate
CID 110314125

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(pyridin-2-ylmethylsulfanyl)propanamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(pyridin-2-ylmethylsulfanyl)propanamide (CID 55825162) is N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(pyridin-2-ylmethylsulfanyl)propanamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(pyridin-2-ylmethylsulfanyl)propanamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(pyridin-2-ylmethylsulfanyl)propanamide is O=C(CCSCc1ccccn1)NCC(c1ccccc1Cl)N1CCOCC1.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(pyridin-2-ylmethylsulfanyl)propanamide?
The InChIKey is QBGOUJHSCHUDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O2S/c22-19-7-2-1-6-18(19)20(25-10-12-27-13-11-25)15-24-21(26)8-14-28-16-17-5-3-4-9-23-17/h1-7,9,20H,8,10-16H2,(H,24,26).
What are the key properties of N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(pyridin-2-ylmethylsulfanyl)propanamide?
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(pyridin-2-ylmethylsulfanyl)propanamide has a molecular weight of 419.98 g/mol, XLogP of 3.55, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(pyridin-2-ylmethylsulfanyl)propanamide is sourced from PubChem (CID 55825162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).