4-[4-(2-methoxyethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid

C15H20N2O7S — CID 119216832

IUPAC4-[4-(2-methoxyethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
SMILESCOCCNS(=O)(=O)c1ccc(C(=O)N2CCOCC2C(=O)O)cc1
InChIInChI=1S/C15H20N2O7S/c1-23-8-6-16-25(21,22)12-4-2-11(3-5-12)14(18)17-7-9-24-10-13(17)15(19)20/h2-5,13,16H,6-10H2,1H3,(H,19,20)
InChIKeyYZAPYQIPWXCXRM-UHFFFAOYSA-N
MW372.40 g/mol
LogP-0.46
Rot. Bonds7

About 4-[4-(2-methoxyethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid

4-[4-(2-methoxyethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid (PubChem CID 119216832) has the molecular formula C15H20N2O7S and a molecular weight of 372.40 g/mol. Its IUPAC name is 4-[4-(2-methoxyethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[4-(2-methoxyethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
PubChem CID119216832
Molecular FormulaC15H20N2O7S
Molecular Weight372.40 g/mol
Exact Mass372.10
IUPAC Name4-[4-(2-methoxyethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
SMILESCOCCNS(=O)(=O)c1ccc(C(=O)N2CCOCC2C(=O)O)cc1
InChIInChI=1S/C15H20N2O7S/c1-23-8-6-16-25(21,22)12-4-2-11(3-5-12)14(18)17-7-9-24-10-13(17)15(19)20/h2-5,13,16H,6-10H2,1H3,(H,19,20)
InChIKeyYZAPYQIPWXCXRM-UHFFFAOYSA-N
XLogP-0.46
TPSA122.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 5-0.46
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

4-[4-(ethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
CID 119216316
1-[4-(2-methoxyethylsulfamoyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 119355684
4-[4-(prop-2-enylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
CID 119215901
4-[4-(butan-2-ylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
CID 119215860
4-[4-(tert-butylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
CID 119216050
4-[4-(propan-2-ylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
CID 119216337
4-[4-(furan-2-ylmethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
CID 119216622
4-(4-acetylpiperazine-1-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 34840068
4-[4-(cyclopropylcarbamoyl)benzoyl]morpholine-3-carboxylic acid
CID 120521870
1-[4-(2-methoxyethylsulfamoyl)benzoyl]-5-methylpiperidine-3-carboxylic acid
CID 122119091
(3R)-4-[3-(methoxymethyl)benzoyl]morpholine-3-carboxylic acid
CID 124513663
N-(2-methoxyethyl)-4-(2-morpholin-4-ylethylsulfamoyl)benzamide
CID 109059683

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxyethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid?
The IUPAC name of 4-[4-(2-methoxyethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid (CID 119216832) is 4-[4-(2-methoxyethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid.
What is the SMILES notation for 4-[4-(2-methoxyethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid?
The canonical SMILES for 4-[4-(2-methoxyethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid is COCCNS(=O)(=O)c1ccc(C(=O)N2CCOCC2C(=O)O)cc1.
What is the InChIKey of 4-[4-(2-methoxyethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid?
The InChIKey is YZAPYQIPWXCXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O7S/c1-23-8-6-16-25(21,22)12-4-2-11(3-5-12)14(18)17-7-9-24-10-13(17)15(19)20/h2-5,13,16H,6-10H2,1H3,(H,19,20).
What are the key properties of 4-[4-(2-methoxyethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid?
4-[4-(2-methoxyethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid has a molecular weight of 372.40 g/mol, XLogP of -0.46, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxyethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 119216832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).