N-[1-(3,4-dimethoxy-2-methylphenyl)ethyl]oxolane-3-sulfonamide

C15H23NO5S — CID 167940502

IUPACN-[1-(3,4-dimethoxy-2-methylphenyl)ethyl]oxolane-3-sulfonamide
SMILESCOc1ccc(C(C)NS(=O)(=O)C2CCOC2)c(C)c1OC
InChIInChI=1S/C15H23NO5S/c1-10-13(5-6-14(19-3)15(10)20-4)11(2)16-22(17,18)12-7-8-21-9-12/h5-6,11-12,16H,7-9H2,1-4H3
InChIKeyVHEUNGMMJCLVMY-UHFFFAOYSA-N
MW329.42 g/mol
LogP1.78
Rot. Bonds6

About N-[1-(3,4-dimethoxy-2-methylphenyl)ethyl]oxolane-3-sulfonamide

N-[1-(3,4-dimethoxy-2-methylphenyl)ethyl]oxolane-3-sulfonamide (PubChem CID 167940502) has the molecular formula C15H23NO5S and a molecular weight of 329.42 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxy-2-methylphenyl)ethyl]oxolane-3-sulfonamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxy-2-methylphenyl)ethyl]oxolane-3-sulfonamide
PubChem CID167940502
Molecular FormulaC15H23NO5S
Molecular Weight329.42 g/mol
Exact Mass329.13
IUPAC NameN-[1-(3,4-dimethoxy-2-methylphenyl)ethyl]oxolane-3-sulfonamide
SMILESCOc1ccc(C(C)NS(=O)(=O)C2CCOC2)c(C)c1OC
InChIInChI=1S/C15H23NO5S/c1-10-13(5-6-14(19-3)15(10)20-4)11(2)16-22(17,18)12-7-8-21-9-12/h5-6,11-12,16H,7-9H2,1-4H3
InChIKeyVHEUNGMMJCLVMY-UHFFFAOYSA-N
XLogP1.78
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxy-2-methylphenyl)ethyl]oxolane-3-sulfonamide?
The IUPAC name of N-[1-(3,4-dimethoxy-2-methylphenyl)ethyl]oxolane-3-sulfonamide (CID 167940502) is N-[1-(3,4-dimethoxy-2-methylphenyl)ethyl]oxolane-3-sulfonamide.
What is the SMILES notation for N-[1-(3,4-dimethoxy-2-methylphenyl)ethyl]oxolane-3-sulfonamide?
The canonical SMILES for N-[1-(3,4-dimethoxy-2-methylphenyl)ethyl]oxolane-3-sulfonamide is COc1ccc(C(C)NS(=O)(=O)C2CCOC2)c(C)c1OC.
What is the InChIKey of N-[1-(3,4-dimethoxy-2-methylphenyl)ethyl]oxolane-3-sulfonamide?
The InChIKey is VHEUNGMMJCLVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO5S/c1-10-13(5-6-14(19-3)15(10)20-4)11(2)16-22(17,18)12-7-8-21-9-12/h5-6,11-12,16H,7-9H2,1-4H3.
What are the key properties of N-[1-(3,4-dimethoxy-2-methylphenyl)ethyl]oxolane-3-sulfonamide?
N-[1-(3,4-dimethoxy-2-methylphenyl)ethyl]oxolane-3-sulfonamide has a molecular weight of 329.42 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxy-2-methylphenyl)ethyl]oxolane-3-sulfonamide is sourced from PubChem (CID 167940502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).