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

C26H26N4O4S — CID 46263725

IUPACN-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)CCCc3nc(-c4ccccc4)no3)cc2)c1
InChIInChI=1S/C26H26N4O4S/c1-18-11-12-19(2)23(17-18)30-35(32,33)22-15-13-21(14-16-22)27-24(31)9-6-10-25-28-26(29-34-25)20-7-4-3-5-8-20/h3-5,7-8,11-17,30H,6,9-10H2,1-2H3,(H,27,31)
InChIKeyGFWBEPBYLUUGCU-UHFFFAOYSA-N
MW490.59 g/mol
LogP5.12
Rot. Bonds9

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

N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide (PubChem CID 46263725) has the molecular formula C26H26N4O4S and a molecular weight of 490.59 g/mol. Its IUPAC name is N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide.

Molecular Properties

Compound NameN-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide
PubChem CID46263725
Molecular FormulaC26H26N4O4S
Molecular Weight490.59 g/mol
Exact Mass490.17
IUPAC NameN-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)CCCc3nc(-c4ccccc4)no3)cc2)c1
InChIInChI=1S/C26H26N4O4S/c1-18-11-12-19(2)23(17-18)30-35(32,33)22-15-13-21(14-16-22)27-24(31)9-6-10-25-28-26(29-34-25)20-7-4-3-5-8-20/h3-5,7-8,11-17,30H,6,9-10H2,1-2H3,(H,27,31)
InChIKeyGFWBEPBYLUUGCU-UHFFFAOYSA-N
XLogP5.12
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.59
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 17354607
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 17354560
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide
CID 46263724
4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbutanamide
CID 17101291
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 17354653
N-(4-methylphenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762262
N-(4-methylphenyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 23612263
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 3826214
N-(2,4-dimethylphenyl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 2981927
3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-sulfamoylphenyl)propanamide
CID 100758466
N-(2-fluoro-5-methylphenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 18197998
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-phenylphenyl)propanamide
CID 9192093

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide?
The IUPAC name of N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide (CID 46263725) is N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide.
What is the SMILES notation for N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide?
The canonical SMILES for N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide is Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)CCCc3nc(-c4ccccc4)no3)cc2)c1.
What is the InChIKey of N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide?
The InChIKey is GFWBEPBYLUUGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O4S/c1-18-11-12-19(2)23(17-18)30-35(32,33)22-15-13-21(14-16-22)27-24(31)9-6-10-25-28-26(29-34-25)20-7-4-3-5-8-20/h3-5,7-8,11-17,30H,6,9-10H2,1-2H3,(H,27,31).
What are the key properties of N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide?
N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide has a molecular weight of 490.59 g/mol, XLogP of 5.12, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide is sourced from PubChem (CID 46263725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).