4-methoxy-5-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-propan-2-ylbenzenesulfonamide

C14H19N3O4S — CID 138021196

IUPAC4-methoxy-5-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-propan-2-ylbenzenesulfonamide
SMILESCOc1cc(C(C)C)c(S(=O)(=O)Nc2nnc(C)o2)cc1C
InChIInChI=1S/C14H19N3O4S/c1-8(2)11-7-12(20-5)9(3)6-13(11)22(18,19)17-14-16-15-10(4)21-14/h6-8H,1-5H3,(H,16,17)
InChIKeyJCGUXONFAWFTCC-UHFFFAOYSA-N
MW325.39 g/mol
LogP2.62
Rot. Bonds5

About 4-methoxy-5-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-propan-2-ylbenzenesulfonamide

4-methoxy-5-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-propan-2-ylbenzenesulfonamide (PubChem CID 138021196) has the molecular formula C14H19N3O4S and a molecular weight of 325.39 g/mol. Its IUPAC name is 4-methoxy-5-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-5-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-propan-2-ylbenzenesulfonamide
PubChem CID138021196
Molecular FormulaC14H19N3O4S
Molecular Weight325.39 g/mol
Exact Mass325.11
IUPAC Name4-methoxy-5-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-propan-2-ylbenzenesulfonamide
SMILESCOc1cc(C(C)C)c(S(=O)(=O)Nc2nnc(C)o2)cc1C
InChIInChI=1S/C14H19N3O4S/c1-8(2)11-7-12(20-5)9(3)6-13(11)22(18,19)17-14-16-15-10(4)21-14/h6-8H,1-5H3,(H,16,17)
InChIKeyJCGUXONFAWFTCC-UHFFFAOYSA-N
XLogP2.62
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-5-methyl-2-propan-2-ylbenzenesulfonyl chloride
CID 81004564
5-bromo-2-methoxy-4-methyl-N-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide
CID 136533985
4-fluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 104826666
4-methoxy-2-methyl-5-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide
CID 2986032
2-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3,4-oxadiazole
CID 110419120
N-(2-ethoxypyrimidin-5-yl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 122301894
N-(2-fluorophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 2236619
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-methoxy-N,5-dimethyl-2-propan-2-ylbenzenesulfonamide
CID 166311190
4-methoxy-5-methyl-2-propan-2-ylaniline;hydrochloride
CID 146675441
1-methoxy-2-methyl-5-propan-2-yl-4-propan-2-yloxybenzene
CID 134182068
1-butan-2-yl-5-methoxy-2,4-dimethylbenzene
CID 144980692
4-ethoxy-5-methyl-2-propan-2-ylbenzenesulfonic acid
CID 176845906

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-methoxy-5-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-propan-2-ylbenzenesulfonamide (CID 138021196) is 4-methoxy-5-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-methoxy-5-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-methoxy-5-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-propan-2-ylbenzenesulfonamide is COc1cc(C(C)C)c(S(=O)(=O)Nc2nnc(C)o2)cc1C.
What is the InChIKey of 4-methoxy-5-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-propan-2-ylbenzenesulfonamide?
The InChIKey is JCGUXONFAWFTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4S/c1-8(2)11-7-12(20-5)9(3)6-13(11)22(18,19)17-14-16-15-10(4)21-14/h6-8H,1-5H3,(H,16,17).
What are the key properties of 4-methoxy-5-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-propan-2-ylbenzenesulfonamide?
4-methoxy-5-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-propan-2-ylbenzenesulfonamide has a molecular weight of 325.39 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 138021196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).