N,2-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-(1,2-oxazol-5-yl)benzenesulfonamide

C18H22N4O4S — CID 131903392

IUPACN,2-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-(1,2-oxazol-5-yl)benzenesulfonamide
SMILESCc1ccc(-c2ccno2)cc1S(=O)(=O)N(C)Cc1noc(CC(C)C)n1
InChIInChI=1S/C18H22N4O4S/c1-12(2)9-18-20-17(21-26-18)11-22(4)27(23,24)16-10-14(6-5-13(16)3)15-7-8-19-25-15/h5-8,10,12H,9,11H2,1-4H3
InChIKeyDFHRCHLQMIKQDJ-UHFFFAOYSA-N
MW390.47 g/mol
LogP3.05
Rot. Bonds7

About N,2-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-(1,2-oxazol-5-yl)benzenesulfonamide

N,2-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-(1,2-oxazol-5-yl)benzenesulfonamide (PubChem CID 131903392) has the molecular formula C18H22N4O4S and a molecular weight of 390.47 g/mol. Its IUPAC name is N,2-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-(1,2-oxazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-(1,2-oxazol-5-yl)benzenesulfonamide
PubChem CID131903392
Molecular FormulaC18H22N4O4S
Molecular Weight390.47 g/mol
Exact Mass390.14
IUPAC NameN,2-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-(1,2-oxazol-5-yl)benzenesulfonamide
SMILESCc1ccc(-c2ccno2)cc1S(=O)(=O)N(C)Cc1noc(CC(C)C)n1
InChIInChI=1S/C18H22N4O4S/c1-12(2)9-18-20-17(21-26-18)11-22(4)27(23,24)16-10-14(6-5-13(16)3)15-7-8-19-25-15/h5-8,10,12H,9,11H2,1-4H3
InChIKeyDFHRCHLQMIKQDJ-UHFFFAOYSA-N
XLogP3.05
TPSA102.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N,2-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-(1,2-oxazol-5-yl)benzenesulfonamide 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,2-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-(1,2-oxazol-5-yl)benzenesulfonamide?
The IUPAC name of N,2-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-(1,2-oxazol-5-yl)benzenesulfonamide (CID 131903392) is N,2-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-(1,2-oxazol-5-yl)benzenesulfonamide.
What is the SMILES notation for N,2-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-(1,2-oxazol-5-yl)benzenesulfonamide?
The canonical SMILES for N,2-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-(1,2-oxazol-5-yl)benzenesulfonamide is Cc1ccc(-c2ccno2)cc1S(=O)(=O)N(C)Cc1noc(CC(C)C)n1.
What is the InChIKey of N,2-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-(1,2-oxazol-5-yl)benzenesulfonamide?
The InChIKey is DFHRCHLQMIKQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4S/c1-12(2)9-18-20-17(21-26-18)11-22(4)27(23,24)16-10-14(6-5-13(16)3)15-7-8-19-25-15/h5-8,10,12H,9,11H2,1-4H3.
What are the key properties of N,2-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-(1,2-oxazol-5-yl)benzenesulfonamide?
N,2-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-(1,2-oxazol-5-yl)benzenesulfonamide has a molecular weight of 390.47 g/mol, XLogP of 3.05, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-(1,2-oxazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 131903392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).