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

C15H20N2O4S — CID 110660663

IUPAC2-methoxy-4,5-dimethyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)NCCc1ncc(C)o1
InChIInChI=1S/C15H20N2O4S/c1-10-7-13(20-4)14(8-11(10)2)22(18,19)17-6-5-15-16-9-12(3)21-15/h7-9,17H,5-6H2,1-4H3
InChIKeyYLUASWGAKSAGMR-UHFFFAOYSA-N
MW324.40 g/mol
LogP2.13
Rot. Bonds6

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

2-methoxy-4,5-dimethyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide (PubChem CID 110660663) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is 2-methoxy-4,5-dimethyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-4,5-dimethyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
PubChem CID110660663
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC Name2-methoxy-4,5-dimethyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)NCCc1ncc(C)o1
InChIInChI=1S/C15H20N2O4S/c1-10-7-13(20-4)14(8-11(10)2)22(18,19)17-6-5-15-16-9-12(3)21-15/h7-9,17H,5-6H2,1-4H3
InChIKeyYLUASWGAKSAGMR-UHFFFAOYSA-N
XLogP2.13
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4,5-dimethyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-4,5-dimethyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide (CID 110660663) is 2-methoxy-4,5-dimethyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-4,5-dimethyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-4,5-dimethyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide is COc1cc(C)c(C)cc1S(=O)(=O)NCCc1ncc(C)o1.
What is the InChIKey of 2-methoxy-4,5-dimethyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide?
The InChIKey is YLUASWGAKSAGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S/c1-10-7-13(20-4)14(8-11(10)2)22(18,19)17-6-5-15-16-9-12(3)21-15/h7-9,17H,5-6H2,1-4H3.
What are the key properties of 2-methoxy-4,5-dimethyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide?
2-methoxy-4,5-dimethyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide has a molecular weight of 324.40 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4,5-dimethyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110660663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).