4-(benzenesulfonyl)-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]butanamide

C19H19N3O4S — CID 16854630

IUPAC4-(benzenesulfonyl)-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]butanamide
SMILESCc1ccc(-c2nnc(NC(=O)CCCS(=O)(=O)c3ccccc3)o2)cc1
InChIInChI=1S/C19H19N3O4S/c1-14-9-11-15(12-10-14)18-21-22-19(26-18)20-17(23)8-5-13-27(24,25)16-6-3-2-4-7-16/h2-4,6-7,9-12H,5,8,13H2,1H3,(H,20,22,23)
InChIKeyXYSGAIRCWSARCB-UHFFFAOYSA-N
MW385.45 g/mol
LogP3.24
Rot. Bonds7

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

4-(benzenesulfonyl)-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]butanamide (PubChem CID 16854630) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]butanamide.

Molecular Properties

Compound Name4-(benzenesulfonyl)-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]butanamide
PubChem CID16854630
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Name4-(benzenesulfonyl)-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]butanamide
SMILESCc1ccc(-c2nnc(NC(=O)CCCS(=O)(=O)c3ccccc3)o2)cc1
InChIInChI=1S/C19H19N3O4S/c1-14-9-11-15(12-10-14)18-21-22-19(26-18)20-17(23)8-5-13-27(24,25)16-6-3-2-4-7-16/h2-4,6-7,9-12H,5,8,13H2,1H3,(H,20,22,23)
InChIKeyXYSGAIRCWSARCB-UHFFFAOYSA-N
XLogP3.24
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
3-(benzenesulfonyl)-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 7655586
4-(benzenesulfonyl)-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]butanamide
CID 41273101
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-methylphenyl)sulfonylpropanamide
CID 7544170
N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide
CID 25283269
2-(benzenesulfonyl)-N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 41028297
N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-4-(4-methoxyphenyl)sulfonylbutanamide
CID 44921833
N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methoxyphenyl)sulfonylbutanamide
CID 41273846
N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(4-fluorophenyl)sulfonylbutanamide
CID 43976534
N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-methylphenyl)sulfonylpropanamide
CID 43975965

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]butanamide?
The IUPAC name of 4-(benzenesulfonyl)-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]butanamide (CID 16854630) is 4-(benzenesulfonyl)-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]butanamide.
What is the SMILES notation for 4-(benzenesulfonyl)-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]butanamide?
The canonical SMILES for 4-(benzenesulfonyl)-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]butanamide is Cc1ccc(-c2nnc(NC(=O)CCCS(=O)(=O)c3ccccc3)o2)cc1.
What is the InChIKey of 4-(benzenesulfonyl)-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]butanamide?
The InChIKey is XYSGAIRCWSARCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-14-9-11-15(12-10-14)18-21-22-19(26-18)20-17(23)8-5-13-27(24,25)16-6-3-2-4-7-16/h2-4,6-7,9-12H,5,8,13H2,1H3,(H,20,22,23).
What are the key properties of 4-(benzenesulfonyl)-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]butanamide?
4-(benzenesulfonyl)-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]butanamide has a molecular weight of 385.45 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]butanamide is sourced from PubChem (CID 16854630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).