ethyl 4-[[2-(2-methoxyethylcarbamoyl)phenyl]sulfamoyl]benzoate

C19H22N2O6S — CID 31754196

IUPACethyl 4-[[2-(2-methoxyethylcarbamoyl)phenyl]sulfamoyl]benzoate
SMILESCCOC(=O)c1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCCOC)cc1
InChIInChI=1S/C19H22N2O6S/c1-3-27-19(23)14-8-10-15(11-9-14)28(24,25)21-17-7-5-4-6-16(17)18(22)20-12-13-26-2/h4-11,21H,3,12-13H2,1-2H3,(H,20,22)
InChIKeyJYOTUWLHYONVQF-UHFFFAOYSA-N
MW406.46 g/mol
LogP2.04
Rot. Bonds9

About ethyl 4-[[2-(2-methoxyethylcarbamoyl)phenyl]sulfamoyl]benzoate

ethyl 4-[[2-(2-methoxyethylcarbamoyl)phenyl]sulfamoyl]benzoate (PubChem CID 31754196) has the molecular formula C19H22N2O6S and a molecular weight of 406.46 g/mol. Its IUPAC name is ethyl 4-[[2-(2-methoxyethylcarbamoyl)phenyl]sulfamoyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-(2-methoxyethylcarbamoyl)phenyl]sulfamoyl]benzoate
PubChem CID31754196
Molecular FormulaC19H22N2O6S
Molecular Weight406.46 g/mol
Exact Mass406.12
IUPAC Nameethyl 4-[[2-(2-methoxyethylcarbamoyl)phenyl]sulfamoyl]benzoate
SMILESCCOC(=O)c1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCCOC)cc1
InChIInChI=1S/C19H22N2O6S/c1-3-27-19(23)14-8-10-15(11-9-14)28(24,25)21-17-7-5-4-6-16(17)18(22)20-12-13-26-2/h4-11,21H,3,12-13H2,1-2H3,(H,20,22)
InChIKeyJYOTUWLHYONVQF-UHFFFAOYSA-N
XLogP2.04
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-2-[(4-propan-2-ylphenyl)sulfonylamino]benzamide
CID 31754216
2-(benzenesulfonamido)-N-(3-methoxypropyl)benzamide
CID 2967457
2-(ethylsulfonylamino)-N-(2-methoxyethyl)benzamide
CID 47141588
N-(3-aminobutyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 119497804
methyl 4-[(2-carbamoylphenyl)sulfamoyl]benzoate
CID 17485240
ethyl 4-[[2-(benzenesulfonamido)benzoyl]amino]-3-chlorobenzoate
CID 92679847
2-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide
CID 35990783
2-[[2-(methanesulfonamido)benzoyl]amino]-N-(2-methoxyethyl)benzamide
CID 2230013
methyl 4-[[2-(cyclopentylcarbamoyl)phenyl]sulfamoyl]benzoate
CID 17496883
4-[(2,6-dimethylphenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide
CID 109059730
2-[(4-acetylphenyl)sulfonylamino]-N-(2-methylpropyl)benzamide
CID 18082666
methyl 2-[[4-(butan-2-ylcarbamoyl)phenyl]sulfonylamino]benzoate
CID 109059083

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(2-methoxyethylcarbamoyl)phenyl]sulfamoyl]benzoate?
The IUPAC name of ethyl 4-[[2-(2-methoxyethylcarbamoyl)phenyl]sulfamoyl]benzoate (CID 31754196) is ethyl 4-[[2-(2-methoxyethylcarbamoyl)phenyl]sulfamoyl]benzoate.
What is the SMILES notation for ethyl 4-[[2-(2-methoxyethylcarbamoyl)phenyl]sulfamoyl]benzoate?
The canonical SMILES for ethyl 4-[[2-(2-methoxyethylcarbamoyl)phenyl]sulfamoyl]benzoate is CCOC(=O)c1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCCOC)cc1.
What is the InChIKey of ethyl 4-[[2-(2-methoxyethylcarbamoyl)phenyl]sulfamoyl]benzoate?
The InChIKey is JYOTUWLHYONVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O6S/c1-3-27-19(23)14-8-10-15(11-9-14)28(24,25)21-17-7-5-4-6-16(17)18(22)20-12-13-26-2/h4-11,21H,3,12-13H2,1-2H3,(H,20,22).
What are the key properties of ethyl 4-[[2-(2-methoxyethylcarbamoyl)phenyl]sulfamoyl]benzoate?
ethyl 4-[[2-(2-methoxyethylcarbamoyl)phenyl]sulfamoyl]benzoate has a molecular weight of 406.46 g/mol, XLogP of 2.04, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(2-methoxyethylcarbamoyl)phenyl]sulfamoyl]benzoate is sourced from PubChem (CID 31754196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).