ethyl 2-ethoxy-5-[2-methoxyethyl(methyl)sulfamoyl]benzoate

C15H23NO6S — CID 69465529

IUPACethyl 2-ethoxy-5-[2-methoxyethyl(methyl)sulfamoyl]benzoate
SMILESCCOC(=O)c1cc(S(=O)(=O)N(C)CCOC)ccc1OCC
InChIInChI=1S/C15H23NO6S/c1-5-21-14-8-7-12(11-13(14)15(17)22-6-2)23(18,19)16(3)9-10-20-4/h7-8,11H,5-6,9-10H2,1-4H3
InChIKeyNXDZTDFFOWMFCK-UHFFFAOYSA-N
MW345.42 g/mol
LogP1.53
Rot. Bonds9

About ethyl 2-ethoxy-5-[2-methoxyethyl(methyl)sulfamoyl]benzoate

ethyl 2-ethoxy-5-[2-methoxyethyl(methyl)sulfamoyl]benzoate (PubChem CID 69465529) has the molecular formula C15H23NO6S and a molecular weight of 345.42 g/mol. Its IUPAC name is ethyl 2-ethoxy-5-[2-methoxyethyl(methyl)sulfamoyl]benzoate.

Molecular Properties

Compound Nameethyl 2-ethoxy-5-[2-methoxyethyl(methyl)sulfamoyl]benzoate
PubChem CID69465529
Molecular FormulaC15H23NO6S
Molecular Weight345.42 g/mol
Exact Mass345.12
IUPAC Nameethyl 2-ethoxy-5-[2-methoxyethyl(methyl)sulfamoyl]benzoate
SMILESCCOC(=O)c1cc(S(=O)(=O)N(C)CCOC)ccc1OCC
InChIInChI=1S/C15H23NO6S/c1-5-21-14-8-7-12(11-13(14)15(17)22-6-2)23(18,19)16(3)9-10-20-4/h7-8,11H,5-6,9-10H2,1-4H3
InChIKeyNXDZTDFFOWMFCK-UHFFFAOYSA-N
XLogP1.53
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-ethoxy-5-[2-methoxyethyl(methyl)sulfamoyl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-2-ethoxy-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 61428184
5-[(2-amino-2-oxoethyl)-methylsulfamoyl]-2-ethoxybenzoic acid
CID 43374050
propyl 5-chlorosulfonyl-2-ethoxybenzoate
CID 65395767
4-ethoxy-N-(2-ethoxyethyl)-3-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 81063847
ethyl 4-[methyl-[2-(2-methylphenoxy)ethyl]sulfamoyl]benzoate
CID 17465115
2-ethoxy-5-[methyl-[(6-methyl-2-pyridinyl)methyl]sulfamoyl]benzoic acid
CID 136547951
2-cyclopropylethyl 5-chlorosulfonyl-2-ethoxybenzoate
CID 106206893
2-methoxyethyl 2-methoxy-5-sulfamoylbenzoate
CID 27910852
N-butyl-3-chloro-4-ethoxy-N-methylbenzenesulfonamide
CID 110758150
ethyl 5-amino-2-[2-methoxyethyl(methyl)amino]benzoate
CID 61428258
ethyl 2-(bromomethyl)-5-(dimethylsulfamoyl)benzoate
CID 70539801
N-butyl-4-ethoxy-3-fluoro-N-methylbenzenesulfonamide
CID 110758081

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethoxy-5-[2-methoxyethyl(methyl)sulfamoyl]benzoate?
The IUPAC name of ethyl 2-ethoxy-5-[2-methoxyethyl(methyl)sulfamoyl]benzoate (CID 69465529) is ethyl 2-ethoxy-5-[2-methoxyethyl(methyl)sulfamoyl]benzoate.
What is the SMILES notation for ethyl 2-ethoxy-5-[2-methoxyethyl(methyl)sulfamoyl]benzoate?
The canonical SMILES for ethyl 2-ethoxy-5-[2-methoxyethyl(methyl)sulfamoyl]benzoate is CCOC(=O)c1cc(S(=O)(=O)N(C)CCOC)ccc1OCC.
What is the InChIKey of ethyl 2-ethoxy-5-[2-methoxyethyl(methyl)sulfamoyl]benzoate?
The InChIKey is NXDZTDFFOWMFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO6S/c1-5-21-14-8-7-12(11-13(14)15(17)22-6-2)23(18,19)16(3)9-10-20-4/h7-8,11H,5-6,9-10H2,1-4H3.
What are the key properties of ethyl 2-ethoxy-5-[2-methoxyethyl(methyl)sulfamoyl]benzoate?
ethyl 2-ethoxy-5-[2-methoxyethyl(methyl)sulfamoyl]benzoate has a molecular weight of 345.42 g/mol, XLogP of 1.53, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethoxy-5-[2-methoxyethyl(methyl)sulfamoyl]benzoate is sourced from PubChem (CID 69465529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).