N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide

C24H22N4O4S — CID 17354607

IUPACN-[4-[(4-methylphenyl)sulfamoyl]phenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCc3nc(-c4ccccc4)no3)cc2)cc1
InChIInChI=1S/C24H22N4O4S/c1-17-7-9-20(10-8-17)28-33(30,31)21-13-11-19(12-14-21)25-22(29)15-16-23-26-24(27-32-23)18-5-3-2-4-6-18/h2-14,28H,15-16H2,1H3,(H,25,29)
InChIKeyMLPLRJVTZSGQLG-UHFFFAOYSA-N
MW462.53 g/mol
LogP4.42
Rot. Bonds8

About N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide

N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 17354607) has the molecular formula C24H22N4O4S and a molecular weight of 462.53 g/mol. Its IUPAC name is N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[4-[(4-methylphenyl)sulfamoyl]phenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID17354607
Molecular FormulaC24H22N4O4S
Molecular Weight462.53 g/mol
Exact Mass462.14
IUPAC NameN-[4-[(4-methylphenyl)sulfamoyl]phenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCc3nc(-c4ccccc4)no3)cc2)cc1
InChIInChI=1S/C24H22N4O4S/c1-17-7-9-20(10-8-17)28-33(30,31)21-13-11-19(12-14-21)25-22(29)15-16-23-26-24(27-32-23)18-5-3-2-4-6-18/h2-14,28H,15-16H2,1H3,(H,25,29)
InChIKeyMLPLRJVTZSGQLG-UHFFFAOYSA-N
XLogP4.42
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 17354560
N-(4-methylphenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762262
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 17354653
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 3826214
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-phenylphenyl)propanamide
CID 9192093
N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide
CID 46263725
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide
CID 46263724
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 17354574
N-(4-chlorophenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762340
N-(4-fluorophenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762327
N-(4-tert-butylphenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9192064
3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 100763881

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide (CID 17354607) is N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide is Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCc3nc(-c4ccccc4)no3)cc2)cc1.
What is the InChIKey of N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is MLPLRJVTZSGQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4S/c1-17-7-9-20(10-8-17)28-33(30,31)21-13-11-19(12-14-21)25-22(29)15-16-23-26-24(27-32-23)18-5-3-2-4-6-18/h2-14,28H,15-16H2,1H3,(H,25,29).
What are the key properties of N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 462.53 g/mol, XLogP of 4.42, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 17354607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).