ethyl 4-[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)sulfamoyl]benzoate

C16H23NO7S — CID 55729104

IUPACethyl 4-[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)sulfamoyl]benzoate
SMILESCCOC(=O)CN(CCOC)S(=O)(=O)c1ccc(C(=O)OCC)cc1
InChIInChI=1S/C16H23NO7S/c1-4-23-15(18)12-17(10-11-22-3)25(20,21)14-8-6-13(7-9-14)16(19)24-5-2/h6-9H,4-5,10-12H2,1-3H3
InChIKeyKJJNZEPDGMADMT-UHFFFAOYSA-N
MW373.43 g/mol
LogP1.06
Rot. Bonds10

About ethyl 4-[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)sulfamoyl]benzoate

ethyl 4-[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)sulfamoyl]benzoate (PubChem CID 55729104) has the molecular formula C16H23NO7S and a molecular weight of 373.43 g/mol. Its IUPAC name is ethyl 4-[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)sulfamoyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)sulfamoyl]benzoate
PubChem CID55729104
Molecular FormulaC16H23NO7S
Molecular Weight373.43 g/mol
Exact Mass373.12
IUPAC Nameethyl 4-[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)sulfamoyl]benzoate
SMILESCCOC(=O)CN(CCOC)S(=O)(=O)c1ccc(C(=O)OCC)cc1
InChIInChI=1S/C16H23NO7S/c1-4-23-15(18)12-17(10-11-22-3)25(20,21)14-8-6-13(7-9-14)16(19)24-5-2/h6-9H,4-5,10-12H2,1-3H3
InChIKeyKJJNZEPDGMADMT-UHFFFAOYSA-N
XLogP1.06
TPSA99.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 131719040
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ethyl 2-[[4-(bromomethyl)phenyl]sulfonyl-propylamino]acetate
CID 65482015
ethyl 4-[ethyl-[2-(ethylamino)-2-oxoethyl]sulfamoyl]benzoate
CID 24678382
[benzoyl-(2-ethoxy-2-oxoethyl)amino]methyl 4-(dipropylsulfamoyl)benzoate
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ethyl 2-[(4-methylphenyl)sulfonyl-(2-oxopropyl)amino]acetate
CID 42874720
methyl 4-[(2-amino-2-oxoethyl)-butylsulfamoyl]benzoate
CID 55702922
ethyl 4-[[(4-bromophenyl)methyl-(4-bromophenyl)sulfonylamino]methyl]benzoate
CID 4053596
ethyl 2-[(4-methoxyphenyl)sulfonyl-(3-phenylpropyl)amino]acetate
CID 10834308
ethyl 4-[2-hydroxyethyl(propan-2-yl)sulfamoyl]benzoate
CID 43574674
ethyl 2-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]acetate
CID 10663093

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)sulfamoyl]benzoate?
The IUPAC name of ethyl 4-[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)sulfamoyl]benzoate (CID 55729104) is ethyl 4-[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)sulfamoyl]benzoate.
What is the SMILES notation for ethyl 4-[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)sulfamoyl]benzoate?
The canonical SMILES for ethyl 4-[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)sulfamoyl]benzoate is CCOC(=O)CN(CCOC)S(=O)(=O)c1ccc(C(=O)OCC)cc1.
What is the InChIKey of ethyl 4-[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)sulfamoyl]benzoate?
The InChIKey is KJJNZEPDGMADMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO7S/c1-4-23-15(18)12-17(10-11-22-3)25(20,21)14-8-6-13(7-9-14)16(19)24-5-2/h6-9H,4-5,10-12H2,1-3H3.
What are the key properties of ethyl 4-[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)sulfamoyl]benzoate?
ethyl 4-[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)sulfamoyl]benzoate has a molecular weight of 373.43 g/mol, XLogP of 1.06, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)sulfamoyl]benzoate is sourced from PubChem (CID 55729104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).