N-[2-[5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]-N,2-dimethylbenzenesulfonamide

C20H23N3O5S — CID 53056183

IUPACN-[2-[5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]-N,2-dimethylbenzenesulfonamide
SMILESCOc1ccc(OCc2nc(CCN(C)S(=O)(=O)c3ccccc3C)no2)cc1
InChIInChI=1S/C20H23N3O5S/c1-15-6-4-5-7-18(15)29(24,25)23(2)13-12-19-21-20(28-22-19)14-27-17-10-8-16(26-3)9-11-17/h4-11H,12-14H2,1-3H3
InChIKeyKWTHAJHYTXHDBW-UHFFFAOYSA-N
MW417.49 g/mol
LogP2.83
Rot. Bonds9

About N-[2-[5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]-N,2-dimethylbenzenesulfonamide

N-[2-[5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]-N,2-dimethylbenzenesulfonamide (PubChem CID 53056183) has the molecular formula C20H23N3O5S and a molecular weight of 417.49 g/mol. Its IUPAC name is N-[2-[5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]-N,2-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]-N,2-dimethylbenzenesulfonamide
PubChem CID53056183
Molecular FormulaC20H23N3O5S
Molecular Weight417.49 g/mol
Exact Mass417.14
IUPAC NameN-[2-[5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]-N,2-dimethylbenzenesulfonamide
SMILESCOc1ccc(OCc2nc(CCN(C)S(=O)(=O)c3ccccc3C)no2)cc1
InChIInChI=1S/C20H23N3O5S/c1-15-6-4-5-7-18(15)29(24,25)23(2)13-12-19-21-20(28-22-19)14-27-17-10-8-16(26-3)9-11-17/h4-11H,12-14H2,1-3H3
InChIKeyKWTHAJHYTXHDBW-UHFFFAOYSA-N
XLogP2.83
TPSA94.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]-N,2-dimethylbenzenesulfonamide?
The IUPAC name of N-[2-[5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]-N,2-dimethylbenzenesulfonamide (CID 53056183) is N-[2-[5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]-N,2-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-[5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]-N,2-dimethylbenzenesulfonamide?
The canonical SMILES for N-[2-[5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]-N,2-dimethylbenzenesulfonamide is COc1ccc(OCc2nc(CCN(C)S(=O)(=O)c3ccccc3C)no2)cc1.
What is the InChIKey of N-[2-[5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]-N,2-dimethylbenzenesulfonamide?
The InChIKey is KWTHAJHYTXHDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5S/c1-15-6-4-5-7-18(15)29(24,25)23(2)13-12-19-21-20(28-22-19)14-27-17-10-8-16(26-3)9-11-17/h4-11H,12-14H2,1-3H3.
What are the key properties of N-[2-[5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]-N,2-dimethylbenzenesulfonamide?
N-[2-[5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]-N,2-dimethylbenzenesulfonamide has a molecular weight of 417.49 g/mol, XLogP of 2.83, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]-N,2-dimethylbenzenesulfonamide is sourced from PubChem (CID 53056183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).