N-(2-ethylsulfonylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide

C18H18N4O4S — CID 55624880

IUPACN-(2-ethylsulfonylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCCS(=O)(=O)c1ccccc1NC(=O)CCc1nc(-c2cccnc2)no1
InChIInChI=1S/C18H18N4O4S/c1-2-27(24,25)15-8-4-3-7-14(15)20-16(23)9-10-17-21-18(22-26-17)13-6-5-11-19-12-13/h3-8,11-12H,2,9-10H2,1H3,(H,20,23)
InChIKeyMRBRYJNUWGORDF-UHFFFAOYSA-N
MW386.43 g/mol
LogP2.50
Rot. Bonds7

About N-(2-ethylsulfonylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide

N-(2-ethylsulfonylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 55624880) has the molecular formula C18H18N4O4S and a molecular weight of 386.43 g/mol. Its IUPAC name is N-(2-ethylsulfonylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(2-ethylsulfonylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID55624880
Molecular FormulaC18H18N4O4S
Molecular Weight386.43 g/mol
Exact Mass386.10
IUPAC NameN-(2-ethylsulfonylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCCS(=O)(=O)c1ccccc1NC(=O)CCc1nc(-c2cccnc2)no1
InChIInChI=1S/C18H18N4O4S/c1-2-27(24,25)15-8-4-3-7-14(15)20-16(23)9-10-17-21-18(22-26-17)13-6-5-11-19-12-13/h3-8,11-12H,2,9-10H2,1H3,(H,20,23)
InChIKeyMRBRYJNUWGORDF-UHFFFAOYSA-N
XLogP2.50
TPSA115.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-phenoxyphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 100763240
N-(2-pyrazol-1-ylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55763749
N-(4-chloro-2-methylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 53047544
N-(5-fluoro-2-methylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46459911
N-(4-acetylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 16765512
N-[4-(methylcarbamoylamino)phenyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55626773
N-[4-(2-amino-2-oxoethyl)phenyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46460553
4-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
CID 51233758
N-prop-2-ynyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46471626
3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 3159643
N-(2,5-dimethylpyrazol-3-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46472839
N-(3-methoxyphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfonylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-(2-ethylsulfonylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 55624880) is N-(2-ethylsulfonylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-(2-ethylsulfonylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-(2-ethylsulfonylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide is CCS(=O)(=O)c1ccccc1NC(=O)CCc1nc(-c2cccnc2)no1.
What is the InChIKey of N-(2-ethylsulfonylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is MRBRYJNUWGORDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4S/c1-2-27(24,25)15-8-4-3-7-14(15)20-16(23)9-10-17-21-18(22-26-17)13-6-5-11-19-12-13/h3-8,11-12H,2,9-10H2,1H3,(H,20,23).
What are the key properties of N-(2-ethylsulfonylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-(2-ethylsulfonylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 386.43 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfonylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 55624880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).