ethyl 4-(2-methoxyethylsulfamoylamino)benzoate

C12H18N2O5S — CID 114816306

IUPACethyl 4-(2-methoxyethylsulfamoylamino)benzoate
SMILESCCOC(=O)c1ccc(NS(=O)(=O)NCCOC)cc1
InChIInChI=1S/C12H18N2O5S/c1-3-19-12(15)10-4-6-11(7-5-10)14-20(16,17)13-8-9-18-2/h4-7,13-14H,3,8-9H2,1-2H3
InChIKeyDBFXHAHGXBICHF-UHFFFAOYSA-N
MW302.35 g/mol
LogP0.76
Rot. Bonds8

About ethyl 4-(2-methoxyethylsulfamoylamino)benzoate

ethyl 4-(2-methoxyethylsulfamoylamino)benzoate (PubChem CID 114816306) has the molecular formula C12H18N2O5S and a molecular weight of 302.35 g/mol. Its IUPAC name is ethyl 4-(2-methoxyethylsulfamoylamino)benzoate.

Molecular Properties

Compound Nameethyl 4-(2-methoxyethylsulfamoylamino)benzoate
PubChem CID114816306
Molecular FormulaC12H18N2O5S
Molecular Weight302.35 g/mol
Exact Mass302.09
IUPAC Nameethyl 4-(2-methoxyethylsulfamoylamino)benzoate
SMILESCCOC(=O)c1ccc(NS(=O)(=O)NCCOC)cc1
InChIInChI=1S/C12H18N2O5S/c1-3-19-12(15)10-4-6-11(7-5-10)14-20(16,17)13-8-9-18-2/h4-7,13-14H,3,8-9H2,1-2H3
InChIKeyDBFXHAHGXBICHF-UHFFFAOYSA-N
XLogP0.76
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-(2-methoxyethylcarbamoylamino)benzoate
CID 47146237
2-[4-(2-methoxyethylsulfamoylamino)phenyl]-2-methylpropanoic acid
CID 114814756
ethyl 4-[[2-(2-methoxyethylamino)acetyl]amino]benzoate;hydrochloride
CID 119672462
ethyl 4-(3-methoxypropanoylamino)benzoate
CID 62590057
5-(2-methoxyethylsulfamoylamino)benzene-1,3-dicarboxylic acid
CID 114814430
2-methoxyethyl 4-(2-methoxyethylamino)benzoate
CID 66962973
ethyl 4-[(4-iodophenyl)sulfamoyl]benzoate
CID 26967680
ethyl 4-[[3-(2-methoxyethylcarbamoyl)benzoyl]amino]benzoate
CID 109052641
ethyl 4-[[2-(2-methoxyethylcarbamoyl)phenyl]sulfamoyl]benzoate
CID 31754196
ethyl 4-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzoate
CID 169371543
2-methoxy-4-N-(2-methoxyethylsulfamoyl)benzene-1,4-diamine
CID 114815986
ethyl 4-[(4-fluorophenyl)sulfonylamino]benzoate
CID 796321

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-methoxyethylsulfamoylamino)benzoate?
The IUPAC name of ethyl 4-(2-methoxyethylsulfamoylamino)benzoate (CID 114816306) is ethyl 4-(2-methoxyethylsulfamoylamino)benzoate.
What is the SMILES notation for ethyl 4-(2-methoxyethylsulfamoylamino)benzoate?
The canonical SMILES for ethyl 4-(2-methoxyethylsulfamoylamino)benzoate is CCOC(=O)c1ccc(NS(=O)(=O)NCCOC)cc1.
What is the InChIKey of ethyl 4-(2-methoxyethylsulfamoylamino)benzoate?
The InChIKey is DBFXHAHGXBICHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5S/c1-3-19-12(15)10-4-6-11(7-5-10)14-20(16,17)13-8-9-18-2/h4-7,13-14H,3,8-9H2,1-2H3.
What are the key properties of ethyl 4-(2-methoxyethylsulfamoylamino)benzoate?
ethyl 4-(2-methoxyethylsulfamoylamino)benzoate has a molecular weight of 302.35 g/mol, XLogP of 0.76, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-methoxyethylsulfamoylamino)benzoate is sourced from PubChem (CID 114816306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).