2-[(2-methoxy-4-methylphenoxy)methyl]pentane-1-sulfonamide

C14H23NO4S — CID 65012969

IUPAC2-[(2-methoxy-4-methylphenoxy)methyl]pentane-1-sulfonamide
SMILESCCCC(COc1ccc(C)cc1OC)CS(N)(=O)=O
InChIInChI=1S/C14H23NO4S/c1-4-5-12(10-20(15,16)17)9-19-13-7-6-11(2)8-14(13)18-3/h6-8,12H,4-5,9-10H2,1-3H3,(H2,15,16,17)
InChIKeyKDOGSASYUPXELF-UHFFFAOYSA-N
MW301.41 g/mol
LogP2.09
Rot. Bonds8

About 2-[(2-methoxy-4-methylphenoxy)methyl]pentane-1-sulfonamide

2-[(2-methoxy-4-methylphenoxy)methyl]pentane-1-sulfonamide (PubChem CID 65012969) has the molecular formula C14H23NO4S and a molecular weight of 301.41 g/mol. Its IUPAC name is 2-[(2-methoxy-4-methylphenoxy)methyl]pentane-1-sulfonamide.

Molecular Properties

Compound Name2-[(2-methoxy-4-methylphenoxy)methyl]pentane-1-sulfonamide
PubChem CID65012969
Molecular FormulaC14H23NO4S
Molecular Weight301.41 g/mol
Exact Mass301.13
IUPAC Name2-[(2-methoxy-4-methylphenoxy)methyl]pentane-1-sulfonamide
SMILESCCCC(COc1ccc(C)cc1OC)CS(N)(=O)=O
InChIInChI=1S/C14H23NO4S/c1-4-5-12(10-20(15,16)17)9-19-13-7-6-11(2)8-14(13)18-3/h6-8,12H,4-5,9-10H2,1-3H3,(H2,15,16,17)
InChIKeyKDOGSASYUPXELF-UHFFFAOYSA-N
XLogP2.09
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-bromo-4-methylphenoxy)methyl]pentane-1-sulfonamide
CID 65012663
2-[(4-methyl-2-nitrophenoxy)methyl]pentane-1-sulfonamide
CID 65013123
2-[(2-methylphenoxy)methyl]pentane-1-sulfonamide
CID 65012608
2-[(2,4,5-trichlorophenoxy)methyl]pentane-1-sulfonamide
CID 65013064
2-[(2-chloro-4-methylphenoxy)methyl]pentane-1-sulfonyl chloride
CID 65013058
2-[(2,6-dimethoxy-4-methylphenoxy)methyl]butane-1-sulfonamide
CID 64998712
2-[(4-bromophenoxy)methyl]pentane-1-sulfonamide
CID 65013265
2-[(4-chlorophenoxy)methyl]pentane-1-sulfonamide
CID 65012504
2-[(4-bromo-2-chlorophenoxy)methyl]pentane-1-sulfonyl chloride
CID 65013258
3-amino-4-(2-methoxy-4-methylphenoxy)butanoic acid
CID 112511333
1-(4-aminophenyl)-2-(2-methoxy-4-methylphenoxy)ethanol
CID 62265588
1-[4-[2-(bromomethyl)pentoxy]-3-methoxyphenyl]ethanone
CID 65010866

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-4-methylphenoxy)methyl]pentane-1-sulfonamide?
The IUPAC name of 2-[(2-methoxy-4-methylphenoxy)methyl]pentane-1-sulfonamide (CID 65012969) is 2-[(2-methoxy-4-methylphenoxy)methyl]pentane-1-sulfonamide.
What is the SMILES notation for 2-[(2-methoxy-4-methylphenoxy)methyl]pentane-1-sulfonamide?
The canonical SMILES for 2-[(2-methoxy-4-methylphenoxy)methyl]pentane-1-sulfonamide is CCCC(COc1ccc(C)cc1OC)CS(N)(=O)=O.
What is the InChIKey of 2-[(2-methoxy-4-methylphenoxy)methyl]pentane-1-sulfonamide?
The InChIKey is KDOGSASYUPXELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4S/c1-4-5-12(10-20(15,16)17)9-19-13-7-6-11(2)8-14(13)18-3/h6-8,12H,4-5,9-10H2,1-3H3,(H2,15,16,17).
What are the key properties of 2-[(2-methoxy-4-methylphenoxy)methyl]pentane-1-sulfonamide?
2-[(2-methoxy-4-methylphenoxy)methyl]pentane-1-sulfonamide has a molecular weight of 301.41 g/mol, XLogP of 2.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-4-methylphenoxy)methyl]pentane-1-sulfonamide is sourced from PubChem (CID 65012969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).