2-[(2,6-dimethoxy-4-methylphenoxy)methyl]butane-1-sulfonamide

C14H23NO5S — CID 64998712

IUPAC2-[(2,6-dimethoxy-4-methylphenoxy)methyl]butane-1-sulfonamide
SMILESCCC(COc1c(OC)cc(C)cc1OC)CS(N)(=O)=O
InChIInChI=1S/C14H23NO5S/c1-5-11(9-21(15,16)17)8-20-14-12(18-3)6-10(2)7-13(14)19-4/h6-7,11H,5,8-9H2,1-4H3,(H2,15,16,17)
InChIKeyKCWQZYCCXXPTBU-UHFFFAOYSA-N
MW317.41 g/mol
LogP1.71
Rot. Bonds8

About 2-[(2,6-dimethoxy-4-methylphenoxy)methyl]butane-1-sulfonamide

2-[(2,6-dimethoxy-4-methylphenoxy)methyl]butane-1-sulfonamide (PubChem CID 64998712) has the molecular formula C14H23NO5S and a molecular weight of 317.41 g/mol. Its IUPAC name is 2-[(2,6-dimethoxy-4-methylphenoxy)methyl]butane-1-sulfonamide.

Molecular Properties

Compound Name2-[(2,6-dimethoxy-4-methylphenoxy)methyl]butane-1-sulfonamide
PubChem CID64998712
Molecular FormulaC14H23NO5S
Molecular Weight317.41 g/mol
Exact Mass317.13
IUPAC Name2-[(2,6-dimethoxy-4-methylphenoxy)methyl]butane-1-sulfonamide
SMILESCCC(COc1c(OC)cc(C)cc1OC)CS(N)(=O)=O
InChIInChI=1S/C14H23NO5S/c1-5-11(9-21(15,16)17)8-20-14-12(18-3)6-10(2)7-13(14)19-4/h6-7,11H,5,8-9H2,1-4H3,(H2,15,16,17)
InChIKeyKCWQZYCCXXPTBU-UHFFFAOYSA-N
XLogP1.71
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethoxy-4-methylphenoxy)methyl]butane-1-sulfonamide?
The IUPAC name of 2-[(2,6-dimethoxy-4-methylphenoxy)methyl]butane-1-sulfonamide (CID 64998712) is 2-[(2,6-dimethoxy-4-methylphenoxy)methyl]butane-1-sulfonamide.
What is the SMILES notation for 2-[(2,6-dimethoxy-4-methylphenoxy)methyl]butane-1-sulfonamide?
The canonical SMILES for 2-[(2,6-dimethoxy-4-methylphenoxy)methyl]butane-1-sulfonamide is CCC(COc1c(OC)cc(C)cc1OC)CS(N)(=O)=O.
What is the InChIKey of 2-[(2,6-dimethoxy-4-methylphenoxy)methyl]butane-1-sulfonamide?
The InChIKey is KCWQZYCCXXPTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5S/c1-5-11(9-21(15,16)17)8-20-14-12(18-3)6-10(2)7-13(14)19-4/h6-7,11H,5,8-9H2,1-4H3,(H2,15,16,17).
What are the key properties of 2-[(2,6-dimethoxy-4-methylphenoxy)methyl]butane-1-sulfonamide?
2-[(2,6-dimethoxy-4-methylphenoxy)methyl]butane-1-sulfonamide has a molecular weight of 317.41 g/mol, XLogP of 1.71, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethoxy-4-methylphenoxy)methyl]butane-1-sulfonamide is sourced from PubChem (CID 64998712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).