ethyl 2-[4-(cyclopropylsulfamoyl)phenoxy]acetate

C13H17NO5S — CID 893245

IUPACethyl 2-[4-(cyclopropylsulfamoyl)phenoxy]acetate
SMILESCCOC(=O)COc1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C13H17NO5S/c1-2-18-13(15)9-19-11-5-7-12(8-6-11)20(16,17)14-10-3-4-10/h5-8,10,14H,2-4,9H2,1H3
InChIKeyQAKAROOQGMZEQU-UHFFFAOYSA-N
MW299.35 g/mol
LogP1.07
Rot. Bonds7

About ethyl 2-[4-(cyclopropylsulfamoyl)phenoxy]acetate

ethyl 2-[4-(cyclopropylsulfamoyl)phenoxy]acetate (PubChem CID 893245) has the molecular formula C13H17NO5S and a molecular weight of 299.35 g/mol. Its IUPAC name is ethyl 2-[4-(cyclopropylsulfamoyl)phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(cyclopropylsulfamoyl)phenoxy]acetate
PubChem CID893245
Molecular FormulaC13H17NO5S
Molecular Weight299.35 g/mol
Exact Mass299.08
IUPAC Nameethyl 2-[4-(cyclopropylsulfamoyl)phenoxy]acetate
SMILESCCOC(=O)COc1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C13H17NO5S/c1-2-18-13(15)9-19-11-5-7-12(8-6-11)20(16,17)14-10-3-4-10/h5-8,10,14H,2-4,9H2,1H3
InChIKeyQAKAROOQGMZEQU-UHFFFAOYSA-N
XLogP1.07
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-{[(4-Methoxyphenyl)sulfonyl]amino}propanoic acid
CID 362748
Ethyl 2-(4-sulfamoylphenoxy)propanoate
CID 2725665
N-cyclopropyl-4-ethoxybenzenesulfonamide
CID 848357
N-cycloheptyl-4-ethoxybenzenesulfonamide
CID 975925
(2-Methoxy-isopropyl)[(4-methoxyphenyl)sulfonyl]amine
CID 2904487
Methyl 2-(4-methoxyphenylsulfonamido)acetate
CID 743488
2-(4-Ethoxybenzenesulfonamido)acetic acid
CID 757400
2-(4-(Aminosulfonyl)phenoxy)acetic acid
CID 193436
N-[(4-methoxyphenyl)sulfonyl]-D-alanine
CID 705712
Methyl [4-(morpholin-4-ylsulfonyl)phenoxy]acetate
CID 647348
Methyl {4-[(cycloheptylamino)sulfonyl]phenoxy}acetate
CID 893472
Ethyl [4-({[2-(1-cyclohexen-1-yl)ethyl]amino}sulfonyl)phenoxy]acetate
CID 1314338

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(cyclopropylsulfamoyl)phenoxy]acetate?
The IUPAC name of ethyl 2-[4-(cyclopropylsulfamoyl)phenoxy]acetate (CID 893245) is ethyl 2-[4-(cyclopropylsulfamoyl)phenoxy]acetate.
What is the SMILES notation for ethyl 2-[4-(cyclopropylsulfamoyl)phenoxy]acetate?
The canonical SMILES for ethyl 2-[4-(cyclopropylsulfamoyl)phenoxy]acetate is CCOC(=O)COc1ccc(S(=O)(=O)NC2CC2)cc1.
What is the InChIKey of ethyl 2-[4-(cyclopropylsulfamoyl)phenoxy]acetate?
The InChIKey is QAKAROOQGMZEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5S/c1-2-18-13(15)9-19-11-5-7-12(8-6-11)20(16,17)14-10-3-4-10/h5-8,10,14H,2-4,9H2,1H3.
What are the key properties of ethyl 2-[4-(cyclopropylsulfamoyl)phenoxy]acetate?
ethyl 2-[4-(cyclopropylsulfamoyl)phenoxy]acetate has a molecular weight of 299.35 g/mol, XLogP of 1.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(cyclopropylsulfamoyl)phenoxy]acetate is sourced from PubChem (CID 893245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).