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

C18H19N3O5S — CID 4897923

IUPAC4-methoxy-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
SMILESCOc1ccc(-c2noc(CCNS(=O)(=O)c3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C18H19N3O5S/c1-24-14-5-3-13(4-6-14)18-20-17(26-21-18)11-12-19-27(22,23)16-9-7-15(25-2)8-10-16/h3-10,19H,11-12H2,1-2H3
InChIKeyFEKSVYHKSRDBIK-UHFFFAOYSA-N
MW389.43 g/mol
LogP2.27
Rot. Bonds8

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

4-methoxy-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide (PubChem CID 4897923) has the molecular formula C18H19N3O5S and a molecular weight of 389.43 g/mol. Its IUPAC name is 4-methoxy-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
PubChem CID4897923
Molecular FormulaC18H19N3O5S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC Name4-methoxy-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
SMILESCOc1ccc(-c2noc(CCNS(=O)(=O)c3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C18H19N3O5S/c1-24-14-5-3-13(4-6-14)18-20-17(26-21-18)11-12-19-27(22,23)16-9-7-15(25-2)8-10-16/h3-10,19H,11-12H2,1-2H3
InChIKeyFEKSVYHKSRDBIK-UHFFFAOYSA-N
XLogP2.27
TPSA103.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
CID 4870862
4-fluoro-N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
CID 110323565
N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 30763967
4-fluoro-N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
CID 110324188
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-propan-2-ylbenzenesulfonamide
CID 30154665
4-fluoro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 4895698
N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpropan-2-amine
CID 60837895
N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]ethanesulfonamide
CID 110323882
4-methoxy-3-methyl-N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
CID 110323804
5-ethyl-N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]thiophene-2-sulfonamide
CID 110324199
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbenzenesulfonamide
CID 110324032
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methoxybenzenesulfonamide
CID 99184418

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide (CID 4897923) is 4-methoxy-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide is COc1ccc(-c2noc(CCNS(=O)(=O)c3ccc(OC)cc3)n2)cc1.
What is the InChIKey of 4-methoxy-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide?
The InChIKey is FEKSVYHKSRDBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5S/c1-24-14-5-3-13(4-6-14)18-20-17(26-21-18)11-12-19-27(22,23)16-9-7-15(25-2)8-10-16/h3-10,19H,11-12H2,1-2H3.
What are the key properties of 4-methoxy-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide?
4-methoxy-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide has a molecular weight of 389.43 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 4897923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).