4-cyano-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide

C19H18N4O3S — CID 24506519

IUPAC4-cyano-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(Cc1nnc(-c2ccccc2)o1)S(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C19H18N4O3S/c1-14(2)23(27(24,25)17-10-8-15(12-20)9-11-17)13-18-21-22-19(26-18)16-6-4-3-5-7-16/h3-11,14H,13H2,1-2H3
InChIKeyZSBOKSQHMOWIJO-UHFFFAOYSA-N
MW382.45 g/mol
LogP3.21
Rot. Bonds6

About 4-cyano-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide

4-cyano-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide (PubChem CID 24506519) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is 4-cyano-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide
PubChem CID24506519
Molecular FormulaC19H18N4O3S
Molecular Weight382.45 g/mol
Exact Mass382.11
IUPAC Name4-cyano-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(Cc1nnc(-c2ccccc2)o1)S(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C19H18N4O3S/c1-14(2)23(27(24,25)17-10-8-15(12-20)9-11-17)13-18-21-22-19(26-18)16-6-4-3-5-7-16/h3-11,14H,13H2,1-2H3
InChIKeyZSBOKSQHMOWIJO-UHFFFAOYSA-N
XLogP3.21
TPSA100.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-cyano-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide (CID 24506519) is 4-cyano-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-cyano-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-cyano-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide is CC(C)N(Cc1nnc(-c2ccccc2)o1)S(=O)(=O)c1ccc(C#N)cc1.
What is the InChIKey of 4-cyano-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide?
The InChIKey is ZSBOKSQHMOWIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S/c1-14(2)23(27(24,25)17-10-8-15(12-20)9-11-17)13-18-21-22-19(26-18)16-6-4-3-5-7-16/h3-11,14H,13H2,1-2H3.
What are the key properties of 4-cyano-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide?
4-cyano-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide has a molecular weight of 382.45 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 24506519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).