N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-4-phenoxybenzamide

C23H19N3O5S — CID 44921919

IUPACN-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-4-phenoxybenzamide
SMILESO=C(Nc1nnc(CCS(=O)(=O)c2ccccc2)o1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H19N3O5S/c27-22(17-11-13-19(14-12-17)30-18-7-3-1-4-8-18)24-23-26-25-21(31-23)15-16-32(28,29)20-9-5-2-6-10-20/h1-14H,15-16H2,(H,24,26,27)
InChIKeyMDSJGIBZJMPUSG-UHFFFAOYSA-N
MW449.49 g/mol
LogP4.13
Rot. Bonds8

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

N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-4-phenoxybenzamide (PubChem CID 44921919) has the molecular formula C23H19N3O5S and a molecular weight of 449.49 g/mol. Its IUPAC name is N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-4-phenoxybenzamide.

Molecular Properties

Compound NameN-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-4-phenoxybenzamide
PubChem CID44921919
Molecular FormulaC23H19N3O5S
Molecular Weight449.49 g/mol
Exact Mass449.10
IUPAC NameN-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-4-phenoxybenzamide
SMILESO=C(Nc1nnc(CCS(=O)(=O)c2ccccc2)o1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H19N3O5S/c27-22(17-11-13-19(14-12-17)30-18-7-3-1-4-8-18)24-23-26-25-21(31-23)15-16-32(28,29)20-9-5-2-6-10-20/h1-14H,15-16H2,(H,24,26,27)
InChIKeyMDSJGIBZJMPUSG-UHFFFAOYSA-N
XLogP4.13
TPSA111.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylbenzamide
CID 44921964
N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfanylbenzamide
CID 44921962
N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide
CID 44921935
methyl 4-[[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]carbamoyl]benzoate
CID 44921757
N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-2,5-dichlorobenzamide
CID 44921886
N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-5-chlorothiophene-2-carboxamide
CID 44921880
N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-2-naphthalen-2-ylacetamide
CID 16849494
N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-2-(4-methylsulfonylphenyl)acetamide
CID 44921990
4-chloro-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 11078012
N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-3-bromobenzamide
CID 44921722
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-4-phenoxybenzamide
CID 4151972
3-phenoxy-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43974867

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-4-phenoxybenzamide?
The IUPAC name of N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-4-phenoxybenzamide (CID 44921919) is N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-4-phenoxybenzamide.
What is the SMILES notation for N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-4-phenoxybenzamide?
The canonical SMILES for N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-4-phenoxybenzamide is O=C(Nc1nnc(CCS(=O)(=O)c2ccccc2)o1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-4-phenoxybenzamide?
The InChIKey is MDSJGIBZJMPUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O5S/c27-22(17-11-13-19(14-12-17)30-18-7-3-1-4-8-18)24-23-26-25-21(31-23)15-16-32(28,29)20-9-5-2-6-10-20/h1-14H,15-16H2,(H,24,26,27).
What are the key properties of N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-4-phenoxybenzamide?
N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-4-phenoxybenzamide has a molecular weight of 449.49 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-4-phenoxybenzamide is sourced from PubChem (CID 44921919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).