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

C17H25N3O5S — CID 131893683

IUPAC2,5-dimethoxy-N,4-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)N(C)Cc2noc(CC(C)C)n2)c(OC)cc1C
InChIInChI=1S/C17H25N3O5S/c1-11(2)7-17-18-16(19-25-17)10-20(4)26(21,22)15-9-13(23-5)12(3)8-14(15)24-6/h8-9,11H,7,10H2,1-6H3
InChIKeyOZYPXBLQOSJNPN-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.41
Rot. Bonds8

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

2,5-dimethoxy-N,4-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide (PubChem CID 131893683) has the molecular formula C17H25N3O5S and a molecular weight of 383.47 g/mol. Its IUPAC name is 2,5-dimethoxy-N,4-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N,4-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide
PubChem CID131893683
Molecular FormulaC17H25N3O5S
Molecular Weight383.47 g/mol
Exact Mass383.15
IUPAC Name2,5-dimethoxy-N,4-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)N(C)Cc2noc(CC(C)C)n2)c(OC)cc1C
InChIInChI=1S/C17H25N3O5S/c1-11(2)7-17-18-16(19-25-17)10-20(4)26(21,22)15-9-13(23-5)12(3)8-14(15)24-6/h8-9,11H,7,10H2,1-6H3
InChIKeyOZYPXBLQOSJNPN-UHFFFAOYSA-N
XLogP2.41
TPSA94.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N,2-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-(1,2-oxazol-5-yl)benzenesulfonamide
CID 131903392
N-[3-[methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]sulfamoyl]phenyl]acetamide
CID 131940796
4-acetyl-N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
CID 131927369
5-amino-2-methoxy-N,4-dimethyl-N-(2-methylpropyl)benzenesulfonamide
CID 79974880
2-[methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]propanoic acid
CID 62637246
5-amino-N-(2-hydroxypropyl)-2-methoxy-N,4-dimethylbenzenesulfonamide
CID 79974560
N-(2-methoxyphenyl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-sulfonamide
CID 86992259
2-methoxy-N,N,4,5-tetramethylbenzenesulfonamide
CID 6471319
5-chloro-2-methoxy-N,N,4-trimethylbenzenesulfonamide
CID 934502
N,N,4-trimethyl-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzenesulfonamide
CID 134018234
4-methoxy-N,2,5-trimethyl-N-propylbenzenesulfonamide
CID 7574310
2-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]acetaldehyde
CID 115079152

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N,4-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N,4-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide (CID 131893683) is 2,5-dimethoxy-N,4-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N,4-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N,4-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide is COc1cc(S(=O)(=O)N(C)Cc2noc(CC(C)C)n2)c(OC)cc1C.
What is the InChIKey of 2,5-dimethoxy-N,4-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide?
The InChIKey is OZYPXBLQOSJNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O5S/c1-11(2)7-17-18-16(19-25-17)10-20(4)26(21,22)15-9-13(23-5)12(3)8-14(15)24-6/h8-9,11H,7,10H2,1-6H3.
What are the key properties of 2,5-dimethoxy-N,4-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide?
2,5-dimethoxy-N,4-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide has a molecular weight of 383.47 g/mol, XLogP of 2.41, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N,4-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 131893683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).