N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide

C18H21N5O4S — CID 25283269

IUPACN-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide
SMILESCc1ccc(S(=O)(=O)CCCC(=O)Nc2nnc(-c3cc(C)n(C)n3)o2)cc1
InChIInChI=1S/C18H21N5O4S/c1-12-6-8-14(9-7-12)28(25,26)10-4-5-16(24)19-18-21-20-17(27-18)15-11-13(2)23(3)22-15/h6-9,11H,4-5,10H2,1-3H3,(H,19,21,24)
InChIKeyGWGSWORAHROYMV-UHFFFAOYSA-N
MW403.46 g/mol
LogP2.28
Rot. Bonds7

About N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide

N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide (PubChem CID 25283269) has the molecular formula C18H21N5O4S and a molecular weight of 403.46 g/mol. Its IUPAC name is N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide.

Molecular Properties

Compound NameN-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide
PubChem CID25283269
Molecular FormulaC18H21N5O4S
Molecular Weight403.46 g/mol
Exact Mass403.13
IUPAC NameN-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide
SMILESCc1ccc(S(=O)(=O)CCCC(=O)Nc2nnc(-c3cc(C)n(C)n3)o2)cc1
InChIInChI=1S/C18H21N5O4S/c1-12-6-8-14(9-7-12)28(25,26)10-4-5-16(24)19-18-21-20-17(27-18)15-11-13(2)23(3)22-15/h6-9,11H,4-5,10H2,1-3H3,(H,19,21,24)
InChIKeyGWGSWORAHROYMV-UHFFFAOYSA-N
XLogP2.28
TPSA119.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(benzenesulfonyl)-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]butanamide
CID 16854630
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide
CID 16823725
N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide
CID 43971944
N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide
CID 41273518
N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methoxyphenyl)sulfonylbutanamide
CID 41273846
N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-4-(4-methoxyphenyl)sulfonylbutanamide
CID 90603240
N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide
CID 25283247
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-methylphenyl)sulfonylpropanamide
CID 7544170
N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(4-fluorophenyl)sulfonylbutanamide
CID 43976534
N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methoxyphenyl)sulfonylbutanamide
CID 41273919
N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-methylphenyl)sulfonylpropanamide
CID 43975965
4-[butyl(methyl)sulfamoyl]-N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 25283215

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide?
The IUPAC name of N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide (CID 25283269) is N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide.
What is the SMILES notation for N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide?
The canonical SMILES for N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide is Cc1ccc(S(=O)(=O)CCCC(=O)Nc2nnc(-c3cc(C)n(C)n3)o2)cc1.
What is the InChIKey of N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide?
The InChIKey is GWGSWORAHROYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O4S/c1-12-6-8-14(9-7-12)28(25,26)10-4-5-16(24)19-18-21-20-17(27-18)15-11-13(2)23(3)22-15/h6-9,11H,4-5,10H2,1-3H3,(H,19,21,24).
What are the key properties of N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide?
N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide has a molecular weight of 403.46 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide is sourced from PubChem (CID 25283269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).