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

C19H19N3O4S — CID 16821863

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

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

3-(benzenesulfonyl)-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 16821863) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
PubChem CID16821863
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Name3-(benzenesulfonyl)-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCc1ccc(C)c(-c2nnc(NC(=O)CCS(=O)(=O)c3ccccc3)o2)c1
InChIInChI=1S/C19H19N3O4S/c1-13-8-9-14(2)16(12-13)18-21-22-19(26-18)20-17(23)10-11-27(24,25)15-6-4-3-5-7-15/h3-9,12H,10-11H2,1-2H3,(H,20,22,23)
InChIKeyPKTIKSWBHCYGTK-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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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]propanamide (CID 16821863) is 3-(benzenesulfonyl)-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]propanamide is Cc1ccc(C)c(-c2nnc(NC(=O)CCS(=O)(=O)c3ccccc3)o2)c1.
What is the InChIKey of 3-(benzenesulfonyl)-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The InChIKey is PKTIKSWBHCYGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-13-8-9-14(2)16(12-13)18-21-22-19(26-18)20-17(23)10-11-27(24,25)15-6-4-3-5-7-15/h3-9,12H,10-11H2,1-2H3,(H,20,22,23).
What are the key properties of 3-(benzenesulfonyl)-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
3-(benzenesulfonyl)-N-[5-(2,5-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-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 16821863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).