ethyl 2-[4-(oxolan-2-ylmethylsulfamoyl)phenoxy]acetate

C15H21NO6S — CID 2943598

IUPACethyl 2-[4-(oxolan-2-ylmethylsulfamoyl)phenoxy]acetate
SMILESCCOC(=O)COc1ccc(S(=O)(=O)NCC2CCCO2)cc1
InChIInChI=1S/C15H21NO6S/c1-2-20-15(17)11-22-12-5-7-14(8-6-12)23(18,19)16-10-13-4-3-9-21-13/h5-8,13,16H,2-4,9-11H2,1H3
InChIKeyMRUXGTXAJUZSQN-UHFFFAOYSA-N
MW343.40 g/mol
LogP1.09
Rot. Bonds8

About ethyl 2-[4-(oxolan-2-ylmethylsulfamoyl)phenoxy]acetate

ethyl 2-[4-(oxolan-2-ylmethylsulfamoyl)phenoxy]acetate (PubChem CID 2943598) has the molecular formula C15H21NO6S and a molecular weight of 343.40 g/mol. Its IUPAC name is ethyl 2-[4-(oxolan-2-ylmethylsulfamoyl)phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(oxolan-2-ylmethylsulfamoyl)phenoxy]acetate
PubChem CID2943598
Molecular FormulaC15H21NO6S
Molecular Weight343.40 g/mol
Exact Mass343.11
IUPAC Nameethyl 2-[4-(oxolan-2-ylmethylsulfamoyl)phenoxy]acetate
SMILESCCOC(=O)COc1ccc(S(=O)(=O)NCC2CCCO2)cc1
InChIInChI=1S/C15H21NO6S/c1-2-20-15(17)11-22-12-5-7-14(8-6-12)23(18,19)16-10-13-4-3-9-21-13/h5-8,13,16H,2-4,9-11H2,1H3
InChIKeyMRUXGTXAJUZSQN-UHFFFAOYSA-N
XLogP1.09
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methylphenoxy)-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 17105820
N-(oxolan-2-ylmethyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide
CID 2955531
6-ethoxy-N-[[(2R)-oxolan-2-yl]methyl]naphthalene-2-sulfonamide
CID 870159
4-butoxy-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide
CID 17147023
4-acetyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3401907
2-[2-methyl-4-(oxolan-2-ylmethylsulfamoyl)phenoxy]acetamide
CID 102551738
[2-(4-methylphenyl)-2-oxoethyl] 4-(oxolan-2-ylmethylsulfamoyl)benzoate
CID 42983106
4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 796841
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 4-(oxolan-2-ylmethylsulfamoyl)benzoate
CID 42988399
propan-2-yl 4-(oxolan-2-ylmethylsulfamoyl)benzoate
CID 43056423
[2-(3,4-dimethylphenyl)-2-oxoethyl] 4-(oxolan-2-ylmethylsulfamoyl)benzoate
CID 42983105
2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1088507

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(oxolan-2-ylmethylsulfamoyl)phenoxy]acetate?
The IUPAC name of ethyl 2-[4-(oxolan-2-ylmethylsulfamoyl)phenoxy]acetate (CID 2943598) is ethyl 2-[4-(oxolan-2-ylmethylsulfamoyl)phenoxy]acetate.
What is the SMILES notation for ethyl 2-[4-(oxolan-2-ylmethylsulfamoyl)phenoxy]acetate?
The canonical SMILES for ethyl 2-[4-(oxolan-2-ylmethylsulfamoyl)phenoxy]acetate is CCOC(=O)COc1ccc(S(=O)(=O)NCC2CCCO2)cc1.
What is the InChIKey of ethyl 2-[4-(oxolan-2-ylmethylsulfamoyl)phenoxy]acetate?
The InChIKey is MRUXGTXAJUZSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO6S/c1-2-20-15(17)11-22-12-5-7-14(8-6-12)23(18,19)16-10-13-4-3-9-21-13/h5-8,13,16H,2-4,9-11H2,1H3.
What are the key properties of ethyl 2-[4-(oxolan-2-ylmethylsulfamoyl)phenoxy]acetate?
ethyl 2-[4-(oxolan-2-ylmethylsulfamoyl)phenoxy]acetate has a molecular weight of 343.40 g/mol, XLogP of 1.09, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(oxolan-2-ylmethylsulfamoyl)phenoxy]acetate is sourced from PubChem (CID 2943598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).