2-[3-[(2-ethyl-6-methylphenyl)sulfamoyl]-4-methoxyphenyl]acetic acid

C18H21NO5S — CID 47072178

IUPAC2-[3-[(2-ethyl-6-methylphenyl)sulfamoyl]-4-methoxyphenyl]acetic acid
SMILESCCc1cccc(C)c1NS(=O)(=O)c1cc(CC(=O)O)ccc1OC
InChIInChI=1S/C18H21NO5S/c1-4-14-7-5-6-12(2)18(14)19-25(22,23)16-10-13(11-17(20)21)8-9-15(16)24-3/h5-10,19H,4,11H2,1-3H3,(H,20,21)
InChIKeyDVLZOBHMTSPXTN-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.99
Rot. Bonds7

About 2-[3-[(2-ethyl-6-methylphenyl)sulfamoyl]-4-methoxyphenyl]acetic acid

2-[3-[(2-ethyl-6-methylphenyl)sulfamoyl]-4-methoxyphenyl]acetic acid (PubChem CID 47072178) has the molecular formula C18H21NO5S and a molecular weight of 363.44 g/mol. Its IUPAC name is 2-[3-[(2-ethyl-6-methylphenyl)sulfamoyl]-4-methoxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[(2-ethyl-6-methylphenyl)sulfamoyl]-4-methoxyphenyl]acetic acid
PubChem CID47072178
Molecular FormulaC18H21NO5S
Molecular Weight363.44 g/mol
Exact Mass363.11
IUPAC Name2-[3-[(2-ethyl-6-methylphenyl)sulfamoyl]-4-methoxyphenyl]acetic acid
SMILESCCc1cccc(C)c1NS(=O)(=O)c1cc(CC(=O)O)ccc1OC
InChIInChI=1S/C18H21NO5S/c1-4-14-7-5-6-12(2)18(14)19-25(22,23)16-10-13(11-17(20)21)8-9-15(16)24-3/h5-10,19H,4,11H2,1-3H3,(H,20,21)
InChIKeyDVLZOBHMTSPXTN-UHFFFAOYSA-N
XLogP2.99
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-[(2-ethyl-6-methylphenyl)sulfamoyl]-4-methoxyphenyl]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-[3-[(3-fluoro-4-methylphenyl)sulfamoyl]-4-methoxyphenyl]acetic acid
CID 47060132
2-[3-[(2-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]acetic acid
CID 47060136
2-[3-[(4-fluorophenyl)sulfamoyl]-4-methoxyphenyl]acetic acid
CID 56816264
2-[3-[(3,4-difluorophenyl)sulfamoyl]-4-methoxyphenyl]acetic acid
CID 47060127
2-[3-[(2,5-difluorophenyl)sulfamoyl]-4-methoxyphenyl]acetic acid
CID 47060124
2-[3-[(5-chloro-2-fluorophenyl)sulfamoyl]-4-methoxyphenyl]acetic acid
CID 47060143
N-[3-[(5-ethyl-2-methoxyphenyl)sulfonylamino]phenyl]acetamide
CID 110757886
ethyl 5-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]-1,2-oxazole-3-carboxylate
CID 20941007
N-(2-ethyl-6-methylphenyl)-4-methoxy-2-nitrobenzenesulfonamide
CID 18151538
2-[4-methoxy-3-(pyridazin-3-ylmethylsulfamoyl)phenyl]acetic acid
CID 154840794
2-[(2-ethyl-6-methylphenyl)sulfamoyl-methylamino]acetic acid
CID 84760811
N-[2-(hydroxymethyl)-6-methylphenyl]-3,4-dimethoxybenzenesulfonamide
CID 5184948

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-ethyl-6-methylphenyl)sulfamoyl]-4-methoxyphenyl]acetic acid?
The IUPAC name of 2-[3-[(2-ethyl-6-methylphenyl)sulfamoyl]-4-methoxyphenyl]acetic acid (CID 47072178) is 2-[3-[(2-ethyl-6-methylphenyl)sulfamoyl]-4-methoxyphenyl]acetic acid.
What is the SMILES notation for 2-[3-[(2-ethyl-6-methylphenyl)sulfamoyl]-4-methoxyphenyl]acetic acid?
The canonical SMILES for 2-[3-[(2-ethyl-6-methylphenyl)sulfamoyl]-4-methoxyphenyl]acetic acid is CCc1cccc(C)c1NS(=O)(=O)c1cc(CC(=O)O)ccc1OC.
What is the InChIKey of 2-[3-[(2-ethyl-6-methylphenyl)sulfamoyl]-4-methoxyphenyl]acetic acid?
The InChIKey is DVLZOBHMTSPXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5S/c1-4-14-7-5-6-12(2)18(14)19-25(22,23)16-10-13(11-17(20)21)8-9-15(16)24-3/h5-10,19H,4,11H2,1-3H3,(H,20,21).
What are the key properties of 2-[3-[(2-ethyl-6-methylphenyl)sulfamoyl]-4-methoxyphenyl]acetic acid?
2-[3-[(2-ethyl-6-methylphenyl)sulfamoyl]-4-methoxyphenyl]acetic acid has a molecular weight of 363.44 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-ethyl-6-methylphenyl)sulfamoyl]-4-methoxyphenyl]acetic acid is sourced from PubChem (CID 47072178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).