4-[2-(3-phenylpropoxy)ethylsulfamoyl]butanoic acid

C15H23NO5S — CID 174418153

IUPAC4-[2-(3-phenylpropoxy)ethylsulfamoyl]butanoic acid
SMILESO=C(O)CCCS(=O)(=O)NCCOCCCc1ccccc1
InChIInChI=1S/C15H23NO5S/c17-15(18)9-5-13-22(19,20)16-10-12-21-11-4-8-14-6-2-1-3-7-14/h1-3,6-7,16H,4-5,8-13H2,(H,17,18)
InChIKeyBAWCPKAJAAXUGT-UHFFFAOYSA-N
MW329.42 g/mol
LogP1.42
Rot. Bonds12

About 4-[2-(3-phenylpropoxy)ethylsulfamoyl]butanoic acid

4-[2-(3-phenylpropoxy)ethylsulfamoyl]butanoic acid (PubChem CID 174418153) has the molecular formula C15H23NO5S and a molecular weight of 329.42 g/mol. Its IUPAC name is 4-[2-(3-phenylpropoxy)ethylsulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[2-(3-phenylpropoxy)ethylsulfamoyl]butanoic acid
PubChem CID174418153
Molecular FormulaC15H23NO5S
Molecular Weight329.42 g/mol
Exact Mass329.13
IUPAC Name4-[2-(3-phenylpropoxy)ethylsulfamoyl]butanoic acid
SMILESO=C(O)CCCS(=O)(=O)NCCOCCCc1ccccc1
InChIInChI=1S/C15H23NO5S/c17-15(18)9-5-13-22(19,20)16-10-12-21-11-4-8-14-6-2-1-3-7-14/h1-3,6-7,16H,4-5,8-13H2,(H,17,18)
InChIKeyBAWCPKAJAAXUGT-UHFFFAOYSA-N
XLogP1.42
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 51.42
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-(2-phenoxyethylsulfamoyl)butanoic acid
CID 55012765
methyl 3-[2-(2-phenylethoxy)ethylsulfamoyl]propanoate
CID 18779052
7-[2-(4-benzylphenyl)ethylsulfonylamino]heptanoic acid
CID 150577453
4-[2-(2-fluorophenyl)ethylsulfamoyl]butanoic acid
CID 28513594
4-(phenylmethoxysulfamoyl)butanoic acid
CID 64974140
N-[2-(2-methylphenoxy)ethyl]-3-phenylpropane-1-sulfonamide
CID 113099122
3-chloro-N-(3-phenylpropyl)propane-1-sulfonamide
CID 43654108
4-(2-pyrrol-1-ylethylsulfamoyl)butanoic acid
CID 106390637
4-(3-methoxypropylsulfamoyl)butanoic acid
CID 28513471
2-chloro-N-(2-phenylmethoxyethyl)ethanesulfonamide
CID 131007900
15-phenylpentadecanoic acid
CID 2737151
4-(2-cyclohexyloxyethylsulfamoyl)butanoic acid
CID 63826618

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-phenylpropoxy)ethylsulfamoyl]butanoic acid?
The IUPAC name of 4-[2-(3-phenylpropoxy)ethylsulfamoyl]butanoic acid (CID 174418153) is 4-[2-(3-phenylpropoxy)ethylsulfamoyl]butanoic acid.
What is the SMILES notation for 4-[2-(3-phenylpropoxy)ethylsulfamoyl]butanoic acid?
The canonical SMILES for 4-[2-(3-phenylpropoxy)ethylsulfamoyl]butanoic acid is O=C(O)CCCS(=O)(=O)NCCOCCCc1ccccc1.
What is the InChIKey of 4-[2-(3-phenylpropoxy)ethylsulfamoyl]butanoic acid?
The InChIKey is BAWCPKAJAAXUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO5S/c17-15(18)9-5-13-22(19,20)16-10-12-21-11-4-8-14-6-2-1-3-7-14/h1-3,6-7,16H,4-5,8-13H2,(H,17,18).
What are the key properties of 4-[2-(3-phenylpropoxy)ethylsulfamoyl]butanoic acid?
4-[2-(3-phenylpropoxy)ethylsulfamoyl]butanoic acid has a molecular weight of 329.42 g/mol, XLogP of 1.42, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-phenylpropoxy)ethylsulfamoyl]butanoic acid is sourced from PubChem (CID 174418153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).