N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide

C23H25FN4O3S — CID 55535821

IUPACN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide
SMILESCc1noc(CSc2ccccc2C(=O)NCC(c2ccc(F)cc2)N2CCOCC2)n1
InChIInChI=1S/C23H25FN4O3S/c1-16-26-22(31-27-16)15-32-21-5-3-2-4-19(21)23(29)25-14-20(28-10-12-30-13-11-28)17-6-8-18(24)9-7-17/h2-9,20H,10-15H2,1H3,(H,25,29)
InChIKeyQVAYAEHIIIVGSI-UHFFFAOYSA-N
MW456.54 g/mol
LogP3.61
Rot. Bonds8

About N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide

N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide (PubChem CID 55535821) has the molecular formula C23H25FN4O3S and a molecular weight of 456.54 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide
PubChem CID55535821
Molecular FormulaC23H25FN4O3S
Molecular Weight456.54 g/mol
Exact Mass456.16
IUPAC NameN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide
SMILESCc1noc(CSc2ccccc2C(=O)NCC(c2ccc(F)cc2)N2CCOCC2)n1
InChIInChI=1S/C23H25FN4O3S/c1-16-26-22(31-27-16)15-32-21-5-3-2-4-19(21)23(29)25-14-20(28-10-12-30-13-11-28)17-6-8-18(24)9-7-17/h2-9,20H,10-15H2,1H3,(H,25,29)
InChIKeyQVAYAEHIIIVGSI-UHFFFAOYSA-N
XLogP3.61
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzamide
CID 55331734
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylsulfanylbenzamide
CID 2460009
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(phenoxymethyl)benzamide
CID 55331648
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2,3-dimethylbenzamide
CID 30878247
2-fluoro-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 31460592
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 17467172
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(2-methylphenyl)acetamide
CID 51175139
2-chloro-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]pyridine-3-carboxamide
CID 2313697
2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-[2-(2-methylphenyl)ethyl]benzamide
CID 33186980
7-fluoro-2-methyl-N-(2-morpholin-4-yl-2-phenylethyl)quinoline-3-carboxamide
CID 46569951
2-(4-chlorobenzoyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzamide
CID 2314369
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-methylindole-3-carboxamide
CID 29223882

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide (CID 55535821) is N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide is Cc1noc(CSc2ccccc2C(=O)NCC(c2ccc(F)cc2)N2CCOCC2)n1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide?
The InChIKey is QVAYAEHIIIVGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O3S/c1-16-26-22(31-27-16)15-32-21-5-3-2-4-19(21)23(29)25-14-20(28-10-12-30-13-11-28)17-6-8-18(24)9-7-17/h2-9,20H,10-15H2,1H3,(H,25,29).
What are the key properties of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide?
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide has a molecular weight of 456.54 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide is sourced from PubChem (CID 55535821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).