2-[5-methoxy-2-[methyl(propyl)sulfamoyl]phenyl]acetic acid

C13H19NO5S — CID 43659129

IUPAC2-[5-methoxy-2-[methyl(propyl)sulfamoyl]phenyl]acetic acid
SMILESCCCN(C)S(=O)(=O)c1ccc(OC)cc1CC(=O)O
InChIInChI=1S/C13H19NO5S/c1-4-7-14(2)20(17,18)12-6-5-11(19-3)8-10(12)9-13(15)16/h5-6,8H,4,7,9H2,1-3H3,(H,15,16)
InChIKeyDSXGYQZEKNBPMW-UHFFFAOYSA-N
MW301.36 g/mol
LogP1.35
Rot. Bonds7

About 2-[5-methoxy-2-[methyl(propyl)sulfamoyl]phenyl]acetic acid

2-[5-methoxy-2-[methyl(propyl)sulfamoyl]phenyl]acetic acid (PubChem CID 43659129) has the molecular formula C13H19NO5S and a molecular weight of 301.36 g/mol. Its IUPAC name is 2-[5-methoxy-2-[methyl(propyl)sulfamoyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[5-methoxy-2-[methyl(propyl)sulfamoyl]phenyl]acetic acid
PubChem CID43659129
Molecular FormulaC13H19NO5S
Molecular Weight301.36 g/mol
Exact Mass301.10
IUPAC Name2-[5-methoxy-2-[methyl(propyl)sulfamoyl]phenyl]acetic acid
SMILESCCCN(C)S(=O)(=O)c1ccc(OC)cc1CC(=O)O
InChIInChI=1S/C13H19NO5S/c1-4-7-14(2)20(17,18)12-6-5-11(19-3)8-10(12)9-13(15)16/h5-6,8H,4,7,9H2,1-3H3,(H,15,16)
InChIKeyDSXGYQZEKNBPMW-UHFFFAOYSA-N
XLogP1.35
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[5-methoxy-2-[methyl(propyl)sulfamoyl]phenyl]acetic 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

2-[2-[ethyl(propyl)sulfamoyl]-5-methoxyphenyl]acetic acid
CID 43659128
2-[2-(dimethylsulfamoyl)-5-methoxyphenyl]acetic acid
CID 16775359
4-[(2,4-dimethoxyphenyl)sulfonyl-methylamino]butanoic acid
CID 43238128
2-[(2,4-dimethoxyphenyl)sulfonyl-propylamino]acetic acid
CID 61008795
2-(2-chloroethyl)-4-methoxy-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 115988176
2,4-dimethoxy-N,N-dipropylbenzenesulfonamide
CID 19682152
2-[5-methoxy-2-(pyrrol-1-ylsulfamoyl)phenyl]acetic acid
CID 79084888
4-methoxy-2-[[methyl(propyl)amino]methyl]phenol
CID 82977818
2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 45371745
2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N,N-dimethylacetamide
CID 32945132
2-[2-(1H-imidazol-2-ylsulfamoyl)-5-methoxyphenyl]acetic acid
CID 63563903
2,5-dimethoxy-N-methyl-N-(3-phenoxypropyl)benzenesulfonamide
CID 55681499

Frequently Asked Questions

What is the IUPAC name of 2-[5-methoxy-2-[methyl(propyl)sulfamoyl]phenyl]acetic acid?
The IUPAC name of 2-[5-methoxy-2-[methyl(propyl)sulfamoyl]phenyl]acetic acid (CID 43659129) is 2-[5-methoxy-2-[methyl(propyl)sulfamoyl]phenyl]acetic acid.
What is the SMILES notation for 2-[5-methoxy-2-[methyl(propyl)sulfamoyl]phenyl]acetic acid?
The canonical SMILES for 2-[5-methoxy-2-[methyl(propyl)sulfamoyl]phenyl]acetic acid is CCCN(C)S(=O)(=O)c1ccc(OC)cc1CC(=O)O.
What is the InChIKey of 2-[5-methoxy-2-[methyl(propyl)sulfamoyl]phenyl]acetic acid?
The InChIKey is DSXGYQZEKNBPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5S/c1-4-7-14(2)20(17,18)12-6-5-11(19-3)8-10(12)9-13(15)16/h5-6,8H,4,7,9H2,1-3H3,(H,15,16).
What are the key properties of 2-[5-methoxy-2-[methyl(propyl)sulfamoyl]phenyl]acetic acid?
2-[5-methoxy-2-[methyl(propyl)sulfamoyl]phenyl]acetic acid has a molecular weight of 301.36 g/mol, XLogP of 1.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methoxy-2-[methyl(propyl)sulfamoyl]phenyl]acetic acid is sourced from PubChem (CID 43659129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).