2-ethoxyethyl 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate

C20H25NO6S — CID 24530085

IUPAC2-ethoxyethyl 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate
SMILESCCOCCOC(=O)c1ccc(OC)c(S(=O)(=O)N(C)Cc2ccccc2)c1
InChIInChI=1S/C20H25NO6S/c1-4-26-12-13-27-20(22)17-10-11-18(25-3)19(14-17)28(23,24)21(2)15-16-8-6-5-7-9-16/h5-11,14H,4,12-13,15H2,1-3H3
InChIKeyGJXIFPGAHOSDBL-UHFFFAOYSA-N
MW407.49 g/mol
LogP2.71
Rot. Bonds10

About 2-ethoxyethyl 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate

2-ethoxyethyl 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate (PubChem CID 24530085) has the molecular formula C20H25NO6S and a molecular weight of 407.49 g/mol. Its IUPAC name is 2-ethoxyethyl 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate.

Molecular Properties

Compound Name2-ethoxyethyl 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate
PubChem CID24530085
Molecular FormulaC20H25NO6S
Molecular Weight407.49 g/mol
Exact Mass407.14
IUPAC Name2-ethoxyethyl 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate
SMILESCCOCCOC(=O)c1ccc(OC)c(S(=O)(=O)N(C)Cc2ccccc2)c1
InChIInChI=1S/C20H25NO6S/c1-4-26-12-13-27-20(22)17-10-11-18(25-3)19(14-17)28(23,24)21(2)15-16-8-6-5-7-9-16/h5-11,14H,4,12-13,15H2,1-3H3
InChIKeyGJXIFPGAHOSDBL-UHFFFAOYSA-N
XLogP2.71
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-[benzyl(ethyl)amino]-2-oxoethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 18267673
(5-methyl-1,2-oxazol-3-yl)methyl 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate
CID 28577191
benzyl 4-methoxy-3-[methoxy(methyl)sulfamoyl]benzoate
CID 8722340
(2-phenyl-1,3-oxazol-4-yl)methyl 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate
CID 42983666
[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate
CID 16512591
3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-[2-(methylamino)ethyl]benzamide
CID 119503968
3-[benzyl(methyl)sulfamoyl]-N-[(4-chlorophenyl)methyl]-4-methoxy-N-methylbenzamide
CID 31986975
3-[benzyl(methyl)sulfamoyl]-N-cyclopentyl-4-methoxy-N-propan-2-ylbenzamide
CID 56517189
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate
CID 31118187
N-[3-[benzyl(methyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26945772
N-(2-ethoxyethyl)-5-(hydroxymethyl)-2-methoxy-N-methylbenzenesulfonamide
CID 81073746
N-benzyl-2-methoxy-N-methyl-5-(4-propan-2-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 55589275

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate?
The IUPAC name of 2-ethoxyethyl 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate (CID 24530085) is 2-ethoxyethyl 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate.
What is the SMILES notation for 2-ethoxyethyl 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate?
The canonical SMILES for 2-ethoxyethyl 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate is CCOCCOC(=O)c1ccc(OC)c(S(=O)(=O)N(C)Cc2ccccc2)c1.
What is the InChIKey of 2-ethoxyethyl 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate?
The InChIKey is GJXIFPGAHOSDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO6S/c1-4-26-12-13-27-20(22)17-10-11-18(25-3)19(14-17)28(23,24)21(2)15-16-8-6-5-7-9-16/h5-11,14H,4,12-13,15H2,1-3H3.
What are the key properties of 2-ethoxyethyl 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate?
2-ethoxyethyl 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate has a molecular weight of 407.49 g/mol, XLogP of 2.71, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate is sourced from PubChem (CID 24530085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).