2-[4-(2-methoxyethylsulfamoylamino)phenyl]-2-methylpropanoic acid

C13H20N2O5S — CID 114814756

IUPAC2-[4-(2-methoxyethylsulfamoylamino)phenyl]-2-methylpropanoic acid
SMILESCOCCNS(=O)(=O)Nc1ccc(C(C)(C)C(=O)O)cc1
InChIInChI=1S/C13H20N2O5S/c1-13(2,12(16)17)10-4-6-11(7-5-10)15-21(18,19)14-8-9-20-3/h4-7,14-15H,8-9H2,1-3H3,(H,16,17)
InChIKeyCOBWWXGALODNQJ-UHFFFAOYSA-N
MW316.38 g/mol
LogP0.94
Rot. Bonds8

About 2-[4-(2-methoxyethylsulfamoylamino)phenyl]-2-methylpropanoic acid

2-[4-(2-methoxyethylsulfamoylamino)phenyl]-2-methylpropanoic acid (PubChem CID 114814756) has the molecular formula C13H20N2O5S and a molecular weight of 316.38 g/mol. Its IUPAC name is 2-[4-(2-methoxyethylsulfamoylamino)phenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-(2-methoxyethylsulfamoylamino)phenyl]-2-methylpropanoic acid
PubChem CID114814756
Molecular FormulaC13H20N2O5S
Molecular Weight316.38 g/mol
Exact Mass316.11
IUPAC Name2-[4-(2-methoxyethylsulfamoylamino)phenyl]-2-methylpropanoic acid
SMILESCOCCNS(=O)(=O)Nc1ccc(C(C)(C)C(=O)O)cc1
InChIInChI=1S/C13H20N2O5S/c1-13(2,12(16)17)10-4-6-11(7-5-10)15-21(18,19)14-8-9-20-3/h4-7,14-15H,8-9H2,1-3H3,(H,16,17)
InChIKeyCOBWWXGALODNQJ-UHFFFAOYSA-N
XLogP0.94
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2-methoxyethylsulfonylamino)phenyl]-2-methylpropanoic acid
CID 79001403
5-(2-methoxyethylsulfamoylamino)benzene-1,3-dicarboxylic acid
CID 114814430
ethyl 4-(2-methoxyethylsulfamoylamino)benzoate
CID 114816306
2-fluoro-4-(2-methoxyethylsulfamoylamino)benzoic acid
CID 114002122
4-bromo-1-N-(2-methoxyethylsulfamoyl)benzene-1,3-diamine
CID 114814198
4-chloro-3-(2-methoxyethylsulfamoylamino)benzoic acid
CID 114814349
2-methoxy-4-N-(2-methoxyethylsulfamoyl)benzene-1,4-diamine
CID 114815986
5-(2-methoxyethylsulfamoylamino)-3-methylthiophene-2-carboxylic acid
CID 114814326
5-fluoro-2-(2-methoxyethylsulfamoylamino)benzoic acid
CID 114814358
4-amino-2-(2-methoxyethylsulfamoylamino)benzoic acid
CID 114814171
2-[4-[(2-methoxy-2-oxoethyl)carbamoylamino]phenyl]-2-methylpropanoic acid
CID 80549262
2-(2-methoxyethylsulfamoylamino)-1-phenylethanone
CID 114815339

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyethylsulfamoylamino)phenyl]-2-methylpropanoic acid?
The IUPAC name of 2-[4-(2-methoxyethylsulfamoylamino)phenyl]-2-methylpropanoic acid (CID 114814756) is 2-[4-(2-methoxyethylsulfamoylamino)phenyl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-(2-methoxyethylsulfamoylamino)phenyl]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-(2-methoxyethylsulfamoylamino)phenyl]-2-methylpropanoic acid is COCCNS(=O)(=O)Nc1ccc(C(C)(C)C(=O)O)cc1.
What is the InChIKey of 2-[4-(2-methoxyethylsulfamoylamino)phenyl]-2-methylpropanoic acid?
The InChIKey is COBWWXGALODNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5S/c1-13(2,12(16)17)10-4-6-11(7-5-10)15-21(18,19)14-8-9-20-3/h4-7,14-15H,8-9H2,1-3H3,(H,16,17).
What are the key properties of 2-[4-(2-methoxyethylsulfamoylamino)phenyl]-2-methylpropanoic acid?
2-[4-(2-methoxyethylsulfamoylamino)phenyl]-2-methylpropanoic acid has a molecular weight of 316.38 g/mol, XLogP of 0.94, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyethylsulfamoylamino)phenyl]-2-methylpropanoic acid is sourced from PubChem (CID 114814756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).