4-[N-(2-methoxyethylsulfamoyl)anilino]butanoic acid

C13H20N2O5S — CID 114814446

IUPAC4-[N-(2-methoxyethylsulfamoyl)anilino]butanoic acid
SMILESCOCCNS(=O)(=O)N(CCCC(=O)O)c1ccccc1
InChIInChI=1S/C13H20N2O5S/c1-20-11-9-14-21(18,19)15(10-5-8-13(16)17)12-6-3-2-4-7-12/h2-4,6-7,14H,5,8-11H2,1H3,(H,16,17)
InChIKeyIDDURLVJWRBOFM-UHFFFAOYSA-N
MW316.38 g/mol
LogP0.84
Rot. Bonds10

About 4-[N-(2-methoxyethylsulfamoyl)anilino]butanoic acid

4-[N-(2-methoxyethylsulfamoyl)anilino]butanoic acid (PubChem CID 114814446) has the molecular formula C13H20N2O5S and a molecular weight of 316.38 g/mol. Its IUPAC name is 4-[N-(2-methoxyethylsulfamoyl)anilino]butanoic acid.

Molecular Properties

Compound Name4-[N-(2-methoxyethylsulfamoyl)anilino]butanoic acid
PubChem CID114814446
Molecular FormulaC13H20N2O5S
Molecular Weight316.38 g/mol
Exact Mass316.11
IUPAC Name4-[N-(2-methoxyethylsulfamoyl)anilino]butanoic acid
SMILESCOCCNS(=O)(=O)N(CCCC(=O)O)c1ccccc1
InChIInChI=1S/C13H20N2O5S/c1-20-11-9-14-21(18,19)15(10-5-8-13(16)17)12-6-3-2-4-7-12/h2-4,6-7,14H,5,8-11H2,1H3,(H,16,17)
InChIKeyIDDURLVJWRBOFM-UHFFFAOYSA-N
XLogP0.84
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[N-(methoxycarbonylsulfamoyl)anilino]butanoic acid
CID 114462201
4-(N-(2-methoxy-2-oxoethyl)sulfonylanilino)butanoic acid
CID 61357397
4-(N-methylsulfonylanilino)butanoic acid
CID 50889586
4-[N-[3-(2-methoxyethoxy)propyl]anilino]butanoic acid
CID 103410825
3-[N-(2-methoxyethylcarbamoyl)anilino]propanoic acid
CID 61187915
1-[3-aminopropyl(2-methoxyethylsulfamoyl)amino]-2-fluorobenzene
CID 114813776
1-[ethyl(2-methoxyethylsulfamoyl)amino]-3-hydroxybenzene
CID 107736611
3-[cyclopropyl(2-methoxyethylsulfamoyl)amino]propanoic acid
CID 114814428
4-(4-methoxy-N-methylsulfonylanilino)butanoic acid
CID 50891341
4-[butyl(phenyl)sulfamoyl]butanoic acid
CID 43619879
N-(2-methoxyethyl)-N',N'-diphenylbutanediamide
CID 3996534
4-(4-fluoro-N-methylsulfonylanilino)-N-(2-methoxyethyl)butanamide
CID 21367556

Frequently Asked Questions

What is the IUPAC name of 4-[N-(2-methoxyethylsulfamoyl)anilino]butanoic acid?
The IUPAC name of 4-[N-(2-methoxyethylsulfamoyl)anilino]butanoic acid (CID 114814446) is 4-[N-(2-methoxyethylsulfamoyl)anilino]butanoic acid.
What is the SMILES notation for 4-[N-(2-methoxyethylsulfamoyl)anilino]butanoic acid?
The canonical SMILES for 4-[N-(2-methoxyethylsulfamoyl)anilino]butanoic acid is COCCNS(=O)(=O)N(CCCC(=O)O)c1ccccc1.
What is the InChIKey of 4-[N-(2-methoxyethylsulfamoyl)anilino]butanoic acid?
The InChIKey is IDDURLVJWRBOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5S/c1-20-11-9-14-21(18,19)15(10-5-8-13(16)17)12-6-3-2-4-7-12/h2-4,6-7,14H,5,8-11H2,1H3,(H,16,17).
What are the key properties of 4-[N-(2-methoxyethylsulfamoyl)anilino]butanoic acid?
4-[N-(2-methoxyethylsulfamoyl)anilino]butanoic acid has a molecular weight of 316.38 g/mol, XLogP of 0.84, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[N-(2-methoxyethylsulfamoyl)anilino]butanoic acid is sourced from PubChem (CID 114814446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).