2-ethyl-2-[(4-methoxyphenyl)methoxymethyl]butane-1-sulfonamide

C15H25NO4S — CID 65003749

IUPAC2-ethyl-2-[(4-methoxyphenyl)methoxymethyl]butane-1-sulfonamide
SMILESCCC(CC)(COCc1ccc(OC)cc1)CS(N)(=O)=O
InChIInChI=1S/C15H25NO4S/c1-4-15(5-2,12-21(16,17)18)11-20-10-13-6-8-14(19-3)9-7-13/h6-9H,4-5,10-12H2,1-3H3,(H2,16,17,18)
InChIKeyOOPJCXGKTOYSTM-UHFFFAOYSA-N
MW315.44 g/mol
LogP2.31
Rot. Bonds9

About 2-ethyl-2-[(4-methoxyphenyl)methoxymethyl]butane-1-sulfonamide

2-ethyl-2-[(4-methoxyphenyl)methoxymethyl]butane-1-sulfonamide (PubChem CID 65003749) has the molecular formula C15H25NO4S and a molecular weight of 315.44 g/mol. Its IUPAC name is 2-ethyl-2-[(4-methoxyphenyl)methoxymethyl]butane-1-sulfonamide.

Molecular Properties

Compound Name2-ethyl-2-[(4-methoxyphenyl)methoxymethyl]butane-1-sulfonamide
PubChem CID65003749
Molecular FormulaC15H25NO4S
Molecular Weight315.44 g/mol
Exact Mass315.15
IUPAC Name2-ethyl-2-[(4-methoxyphenyl)methoxymethyl]butane-1-sulfonamide
SMILESCCC(CC)(COCc1ccc(OC)cc1)CS(N)(=O)=O
InChIInChI=1S/C15H25NO4S/c1-4-15(5-2,12-21(16,17)18)11-20-10-13-6-8-14(19-3)9-7-13/h6-9H,4-5,10-12H2,1-3H3,(H2,16,17,18)
InChIKeyOOPJCXGKTOYSTM-UHFFFAOYSA-N
XLogP2.31
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 64999486
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CID 82826695
2-(hydroxymethyl)-2-[(4-methoxyphenyl)methoxymethyl]propane-1,3-diol
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ethyl 5-[(4-methoxyphenyl)methoxy]-4,4-dimethyl-3-oxopentanoate
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CID 14814212
1-[(4-methoxyphenyl)methoxy]-2-methylpentan-3-one
CID 58822506
1-[[ethyl(sulfamoyl)amino]methyl]-4-methoxybenzene
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(4-methoxyphenyl)methylsulfanylmethanesulfonamide
CID 14460406
N-tert-butyl-3-[(4-methoxyphenyl)methoxy]-2,2-dimethylpropan-1-amine
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[(E)-4-[(4-methoxyphenyl)methoxy]but-2-enyl] 2-diazoacetate
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CID 58932908

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(4-methoxyphenyl)methoxymethyl]butane-1-sulfonamide?
The IUPAC name of 2-ethyl-2-[(4-methoxyphenyl)methoxymethyl]butane-1-sulfonamide (CID 65003749) is 2-ethyl-2-[(4-methoxyphenyl)methoxymethyl]butane-1-sulfonamide.
What is the SMILES notation for 2-ethyl-2-[(4-methoxyphenyl)methoxymethyl]butane-1-sulfonamide?
The canonical SMILES for 2-ethyl-2-[(4-methoxyphenyl)methoxymethyl]butane-1-sulfonamide is CCC(CC)(COCc1ccc(OC)cc1)CS(N)(=O)=O.
What is the InChIKey of 2-ethyl-2-[(4-methoxyphenyl)methoxymethyl]butane-1-sulfonamide?
The InChIKey is OOPJCXGKTOYSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4S/c1-4-15(5-2,12-21(16,17)18)11-20-10-13-6-8-14(19-3)9-7-13/h6-9H,4-5,10-12H2,1-3H3,(H2,16,17,18).
What are the key properties of 2-ethyl-2-[(4-methoxyphenyl)methoxymethyl]butane-1-sulfonamide?
2-ethyl-2-[(4-methoxyphenyl)methoxymethyl]butane-1-sulfonamide has a molecular weight of 315.44 g/mol, XLogP of 2.31, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(4-methoxyphenyl)methoxymethyl]butane-1-sulfonamide is sourced from PubChem (CID 65003749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).