4-[methyl(2-phenoxyethyl)sulfamoyl]butanoic acid

C13H19NO5S — CID 60953631

IUPAC4-[methyl(2-phenoxyethyl)sulfamoyl]butanoic acid
SMILESCN(CCOc1ccccc1)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C13H19NO5S/c1-14(20(17,18)11-5-8-13(15)16)9-10-19-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3,(H,15,16)
InChIKeyLAIYEBARLNAXDS-UHFFFAOYSA-N
MW301.36 g/mol
LogP1.19
Rot. Bonds9

About 4-[methyl(2-phenoxyethyl)sulfamoyl]butanoic acid

4-[methyl(2-phenoxyethyl)sulfamoyl]butanoic acid (PubChem CID 60953631) has the molecular formula C13H19NO5S and a molecular weight of 301.36 g/mol. Its IUPAC name is 4-[methyl(2-phenoxyethyl)sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[methyl(2-phenoxyethyl)sulfamoyl]butanoic acid
PubChem CID60953631
Molecular FormulaC13H19NO5S
Molecular Weight301.36 g/mol
Exact Mass301.10
IUPAC Name4-[methyl(2-phenoxyethyl)sulfamoyl]butanoic acid
SMILESCN(CCOc1ccccc1)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C13H19NO5S/c1-14(20(17,18)11-5-8-13(15)16)9-10-19-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3,(H,15,16)
InChIKeyLAIYEBARLNAXDS-UHFFFAOYSA-N
XLogP1.19
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[methyl(2-phenoxyethyl)sulfamoyl]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(4-methoxyphenoxy)ethyl-methylsulfamoyl]propanoic acid
CID 60949142
4-[methyl(2-pyridin-2-ylethyl)sulfamoyl]butanoic acid
CID 28774366
4-[2-phenoxyethyl(propan-2-yl)amino]butanoic acid
CID 55027827
4-[methyl(2-phenylethylsulfonyl)amino]butanoic acid
CID 39385608
9-phenoxynonanoic acid
CID 15887638
4-(2-phenoxyethylsulfamoyl)butanoic acid
CID 55012765
3-(4-phenoxybutylsulfonyl)propanoic acid
CID 82180539
3-[methyl-[3-(4-phenoxyphenoxy)propyl]amino]propanoic acid
CID 11823669
manganese;3-phenoxypropanoic acid;zirconium
CID 175105332
4-chloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]butane-1-sulfonamide
CID 116815366
5-hydroxy-N-methyl-N-(2-phenoxyethyl)pentanamide
CID 79199692
2-[methyl(2-phenoxyethyl)amino]acetic acid;hydrochloride
CID 170904752

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(2-phenoxyethyl)sulfamoyl]butanoic acid?
The IUPAC name of 4-[methyl(2-phenoxyethyl)sulfamoyl]butanoic acid (CID 60953631) is 4-[methyl(2-phenoxyethyl)sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[methyl(2-phenoxyethyl)sulfamoyl]butanoic acid?
The canonical SMILES for 4-[methyl(2-phenoxyethyl)sulfamoyl]butanoic acid is CN(CCOc1ccccc1)S(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-[methyl(2-phenoxyethyl)sulfamoyl]butanoic acid?
The InChIKey is LAIYEBARLNAXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5S/c1-14(20(17,18)11-5-8-13(15)16)9-10-19-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3,(H,15,16).
What are the key properties of 4-[methyl(2-phenoxyethyl)sulfamoyl]butanoic acid?
4-[methyl(2-phenoxyethyl)sulfamoyl]butanoic acid has a molecular weight of 301.36 g/mol, XLogP of 1.19, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(2-phenoxyethyl)sulfamoyl]butanoic acid is sourced from PubChem (CID 60953631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).