N-[5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,3,4-oxadiazol-2-yl]benzenesulfonamide

C20H23N3O3S — CID 10620124

IUPACN-[5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,3,4-oxadiazol-2-yl]benzenesulfonamide
SMILESCC(C)Cc1ccc(C(C)c2nnc(NS(=O)(=O)c3ccccc3)o2)cc1
InChIInChI=1S/C20H23N3O3S/c1-14(2)13-16-9-11-17(12-10-16)15(3)19-21-22-20(26-19)23-27(24,25)18-7-5-4-6-8-18/h4-12,14-15H,13H2,1-3H3,(H,22,23)
InChIKeyFNPAHOFWFDMDSR-UHFFFAOYSA-N
MW385.49 g/mol
LogP4.22
Rot. Bonds7

About N-[5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,3,4-oxadiazol-2-yl]benzenesulfonamide

N-[5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,3,4-oxadiazol-2-yl]benzenesulfonamide (PubChem CID 10620124) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-[5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,3,4-oxadiazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,3,4-oxadiazol-2-yl]benzenesulfonamide
PubChem CID10620124
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC NameN-[5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,3,4-oxadiazol-2-yl]benzenesulfonamide
SMILESCC(C)Cc1ccc(C(C)c2nnc(NS(=O)(=O)c3ccccc3)o2)cc1
InChIInChI=1S/C20H23N3O3S/c1-14(2)13-16-9-11-17(12-10-16)15(3)19-21-22-20(26-19)23-27(24,25)18-7-5-4-6-8-18/h4-12,14-15H,13H2,1-3H3,(H,22,23)
InChIKeyFNPAHOFWFDMDSR-UHFFFAOYSA-N
XLogP4.22
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,3,4-oxadiazol-2-yl]benzenesulfonamide?
The IUPAC name of N-[5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,3,4-oxadiazol-2-yl]benzenesulfonamide (CID 10620124) is N-[5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,3,4-oxadiazol-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,3,4-oxadiazol-2-yl]benzenesulfonamide?
The canonical SMILES for N-[5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,3,4-oxadiazol-2-yl]benzenesulfonamide is CC(C)Cc1ccc(C(C)c2nnc(NS(=O)(=O)c3ccccc3)o2)cc1.
What is the InChIKey of N-[5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,3,4-oxadiazol-2-yl]benzenesulfonamide?
The InChIKey is FNPAHOFWFDMDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-14(2)13-16-9-11-17(12-10-16)15(3)19-21-22-20(26-19)23-27(24,25)18-7-5-4-6-8-18/h4-12,14-15H,13H2,1-3H3,(H,22,23).
What are the key properties of N-[5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,3,4-oxadiazol-2-yl]benzenesulfonamide?
N-[5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,3,4-oxadiazol-2-yl]benzenesulfonamide has a molecular weight of 385.49 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,3,4-oxadiazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 10620124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).