3-(benzenesulfonyl)-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]propanamide

C19H19N3O4S — CID 7655586

IUPAC3-(benzenesulfonyl)-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCc1ccc(-c2nnc(NC(=O)CCS(=O)(=O)c3ccccc3)o2)cc1C
InChIInChI=1S/C19H19N3O4S/c1-13-8-9-15(12-14(13)2)18-21-22-19(26-18)20-17(23)10-11-27(24,25)16-6-4-3-5-7-16/h3-9,12H,10-11H2,1-2H3,(H,20,22,23)
InChIKeyLUUUWFXHNAXJND-UHFFFAOYSA-N
MW385.45 g/mol
LogP3.16
Rot. Bonds6

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

3-(benzenesulfonyl)-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 7655586) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
PubChem CID7655586
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Name3-(benzenesulfonyl)-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCc1ccc(-c2nnc(NC(=O)CCS(=O)(=O)c3ccccc3)o2)cc1C
InChIInChI=1S/C19H19N3O4S/c1-13-8-9-15(12-14(13)2)18-21-22-19(26-18)20-17(23)10-11-27(24,25)16-6-4-3-5-7-16/h3-9,12H,10-11H2,1-2H3,(H,20,22,23)
InChIKeyLUUUWFXHNAXJND-UHFFFAOYSA-N
XLogP3.16
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(benzenesulfonyl)-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]butanamide
CID 16854630
N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-methoxyphenyl)sulfonylpropanamide
CID 41324486
N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-methylphenyl)sulfonylpropanamide
CID 43975965
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-methylphenyl)sulfonylpropanamide
CID 7544170
N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide
CID 43976775
N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide
CID 43971944
3-(benzenesulfonyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 7202561
3-(benzenesulfonyl)-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]propanamide
CID 43947235
2-(benzenesulfonyl)-N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 41028297
3-(4-chlorophenyl)sulfonyl-N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 43975968
4-(benzenesulfonyl)-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]butanamide
CID 41273101
3-(4-chlorophenyl)sulfanyl-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 41375407

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]propanamide (CID 7655586) is 3-(benzenesulfonyl)-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]propanamide is Cc1ccc(-c2nnc(NC(=O)CCS(=O)(=O)c3ccccc3)o2)cc1C.
What is the InChIKey of 3-(benzenesulfonyl)-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The InChIKey is LUUUWFXHNAXJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-13-8-9-15(12-14(13)2)18-21-22-19(26-18)20-17(23)10-11-27(24,25)16-6-4-3-5-7-16/h3-9,12H,10-11H2,1-2H3,(H,20,22,23).
What are the key properties of 3-(benzenesulfonyl)-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
3-(benzenesulfonyl)-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 385.45 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 7655586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).