N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylbenzenesulfonamide

C18H19N3O5S — CID 2219905

IUPACN-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylbenzenesulfonamide
SMILESCOc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccccc3)n2)cc1OC
InChIInChI=1S/C18H19N3O5S/c1-21(27(22,23)14-7-5-4-6-8-14)12-17-19-18(20-26-17)13-9-10-15(24-2)16(11-13)25-3/h4-11H,12H2,1-3H3
InChIKeyPGQHAPYYMYBCKA-UHFFFAOYSA-N
MW389.43 g/mol
LogP2.57
Rot. Bonds7

About N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylbenzenesulfonamide

N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylbenzenesulfonamide (PubChem CID 2219905) has the molecular formula C18H19N3O5S and a molecular weight of 389.43 g/mol. Its IUPAC name is N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylbenzenesulfonamide
PubChem CID2219905
Molecular FormulaC18H19N3O5S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC NameN-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylbenzenesulfonamide
SMILESCOc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccccc3)n2)cc1OC
InChIInChI=1S/C18H19N3O5S/c1-21(27(22,23)14-7-5-4-6-8-14)12-17-19-18(20-26-17)13-9-10-15(24-2)16(11-13)25-3/h4-11H,12H2,1-3H3
InChIKeyPGQHAPYYMYBCKA-UHFFFAOYSA-N
XLogP2.57
TPSA94.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylbenzenesulfonamide?
The IUPAC name of N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylbenzenesulfonamide (CID 2219905) is N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylbenzenesulfonamide?
The canonical SMILES for N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylbenzenesulfonamide is COc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccccc3)n2)cc1OC.
What is the InChIKey of N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylbenzenesulfonamide?
The InChIKey is PGQHAPYYMYBCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5S/c1-21(27(22,23)14-7-5-4-6-8-14)12-17-19-18(20-26-17)13-9-10-15(24-2)16(11-13)25-3/h4-11H,12H2,1-3H3.
What are the key properties of N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylbenzenesulfonamide?
N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylbenzenesulfonamide has a molecular weight of 389.43 g/mol, XLogP of 2.57, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 2219905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).