N-(5-chloro-2-morpholin-4-ylphenyl)-4-phenylsulfanylbutanamide

C20H23ClN2O2S — CID 4963910

IUPACN-(5-chloro-2-morpholin-4-ylphenyl)-4-phenylsulfanylbutanamide
SMILESO=C(CCCSc1ccccc1)Nc1cc(Cl)ccc1N1CCOCC1
InChIInChI=1S/C20H23ClN2O2S/c21-16-8-9-19(23-10-12-25-13-11-23)18(15-16)22-20(24)7-4-14-26-17-5-2-1-3-6-17/h1-3,5-6,8-9,15H,4,7,10-14H2,(H,22,24)
InChIKeyVSMFAYXLUAQKOA-UHFFFAOYSA-N
MW390.94 g/mol
LogP4.69
Rot. Bonds7

About N-(5-chloro-2-morpholin-4-ylphenyl)-4-phenylsulfanylbutanamide

N-(5-chloro-2-morpholin-4-ylphenyl)-4-phenylsulfanylbutanamide (PubChem CID 4963910) has the molecular formula C20H23ClN2O2S and a molecular weight of 390.94 g/mol. Its IUPAC name is N-(5-chloro-2-morpholin-4-ylphenyl)-4-phenylsulfanylbutanamide.

Molecular Properties

Compound NameN-(5-chloro-2-morpholin-4-ylphenyl)-4-phenylsulfanylbutanamide
PubChem CID4963910
Molecular FormulaC20H23ClN2O2S
Molecular Weight390.94 g/mol
Exact Mass390.12
IUPAC NameN-(5-chloro-2-morpholin-4-ylphenyl)-4-phenylsulfanylbutanamide
SMILESO=C(CCCSc1ccccc1)Nc1cc(Cl)ccc1N1CCOCC1
InChIInChI=1S/C20H23ClN2O2S/c21-16-8-9-19(23-10-12-25-13-11-23)18(15-16)22-20(24)7-4-14-26-17-5-2-1-3-6-17/h1-3,5-6,8-9,15H,4,7,10-14H2,(H,22,24)
InChIKeyVSMFAYXLUAQKOA-UHFFFAOYSA-N
XLogP4.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.94
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-morpholin-4-ylphenyl)-3-(2-fluorophenyl)sulfanylpropanamide
CID 43033796
N-(5-chloro-2-morpholin-4-ylphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 8839205
N-(5-chloro-2-morpholin-4-ylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 3536832
N-(5-chloro-2-morpholin-4-ylphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4032094
N-(2-amino-4-chlorophenyl)-4-phenylsulfanylbutanamide
CID 28546369
N-(5-chloro-2-morpholin-4-ylphenyl)-2-hydroxy-2-phenylacetamide
CID 111536320
N-(4-chloro-2-morpholin-4-ylphenyl)-3-phenylpropanamide
CID 2990376
1-benzyl-3-(5-chloro-2-morpholin-4-ylphenyl)urea
CID 51242905
N-(5-chloro-2-morpholin-4-ylphenyl)-2-[2-(dimethylamino)ethylsulfanyl]acetamide
CID 134064794
N-(5-chloro-2-morpholin-4-ylphenyl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 16594348
2-[2-(azepan-1-yl)ethylsulfanyl]-N-(5-chloro-2-morpholin-4-ylphenyl)acetamide
CID 134064781
2-(4-benzoylphenoxy)-N-(5-chloro-2-morpholin-4-ylphenyl)acetamide
CID 2532185

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-morpholin-4-ylphenyl)-4-phenylsulfanylbutanamide?
The IUPAC name of N-(5-chloro-2-morpholin-4-ylphenyl)-4-phenylsulfanylbutanamide (CID 4963910) is N-(5-chloro-2-morpholin-4-ylphenyl)-4-phenylsulfanylbutanamide.
What is the SMILES notation for N-(5-chloro-2-morpholin-4-ylphenyl)-4-phenylsulfanylbutanamide?
The canonical SMILES for N-(5-chloro-2-morpholin-4-ylphenyl)-4-phenylsulfanylbutanamide is O=C(CCCSc1ccccc1)Nc1cc(Cl)ccc1N1CCOCC1.
What is the InChIKey of N-(5-chloro-2-morpholin-4-ylphenyl)-4-phenylsulfanylbutanamide?
The InChIKey is VSMFAYXLUAQKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2S/c21-16-8-9-19(23-10-12-25-13-11-23)18(15-16)22-20(24)7-4-14-26-17-5-2-1-3-6-17/h1-3,5-6,8-9,15H,4,7,10-14H2,(H,22,24).
What are the key properties of N-(5-chloro-2-morpholin-4-ylphenyl)-4-phenylsulfanylbutanamide?
N-(5-chloro-2-morpholin-4-ylphenyl)-4-phenylsulfanylbutanamide has a molecular weight of 390.94 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-morpholin-4-ylphenyl)-4-phenylsulfanylbutanamide is sourced from PubChem (CID 4963910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).