2-[3-[[butyl(methyl)sulfamoyl]amino]phenoxy]acetic acid

C13H20N2O5S — CID 61058722

IUPAC2-[3-[[butyl(methyl)sulfamoyl]amino]phenoxy]acetic acid
SMILESCCCCN(C)S(=O)(=O)Nc1cccc(OCC(=O)O)c1
InChIInChI=1S/C13H20N2O5S/c1-3-4-8-15(2)21(18,19)14-11-6-5-7-12(9-11)20-10-13(16)17/h5-7,9,14H,3-4,8,10H2,1-2H3,(H,16,17)
InChIKeyNMVGGNHYJCKWCZ-UHFFFAOYSA-N
MW316.38 g/mol
LogP1.54
Rot. Bonds9

About 2-[3-[[butyl(methyl)sulfamoyl]amino]phenoxy]acetic acid

2-[3-[[butyl(methyl)sulfamoyl]amino]phenoxy]acetic acid (PubChem CID 61058722) has the molecular formula C13H20N2O5S and a molecular weight of 316.38 g/mol. Its IUPAC name is 2-[3-[[butyl(methyl)sulfamoyl]amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[[butyl(methyl)sulfamoyl]amino]phenoxy]acetic acid
PubChem CID61058722
Molecular FormulaC13H20N2O5S
Molecular Weight316.38 g/mol
Exact Mass316.11
IUPAC Name2-[3-[[butyl(methyl)sulfamoyl]amino]phenoxy]acetic acid
SMILESCCCCN(C)S(=O)(=O)Nc1cccc(OCC(=O)O)c1
InChIInChI=1S/C13H20N2O5S/c1-3-4-8-15(2)21(18,19)14-11-6-5-7-12(9-11)20-10-13(16)17/h5-7,9,14H,3-4,8,10H2,1-2H3,(H,16,17)
InChIKeyNMVGGNHYJCKWCZ-UHFFFAOYSA-N
XLogP1.54
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[butyl(methyl)sulfamoyl]amino]-3-(hydroxymethyl)benzene
CID 54898316
2-[3-[(2-ethylphenyl)sulfonylamino]phenoxy]acetic acid
CID 70066284
2-[3-(2-ethoxyethylsulfonylamino)phenoxy]acetic acid
CID 63245735
2-[5-[[butyl(methyl)sulfamoyl]amino]-2-pyridinyl]acetic acid
CID 107339728
2-[3-[[propan-2-yl(propyl)carbamoyl]amino]phenoxy]acetic acid
CID 61194737
2-[3-[[ethyl(methyl)carbamoyl]amino]phenoxy]acetic acid
CID 61194487
2-bromo-5-[[butyl(methyl)sulfamoyl]amino]benzoic acid
CID 115296004
3-[[2-carboxyethyl(methyl)sulfamoyl]amino]benzoic acid
CID 84760738
2-[3-(cyclohexylsulfonylamino)phenoxy]acetic acid
CID 54424546
2-[3-[(4-chlorophenyl)sulfonylamino]phenoxy]acetic acid
CID 17341772
2-[3-(2,2-dimethylbutanoylamino)phenoxy]acetic acid
CID 62678206
2-[[butyl(methyl)sulfamoyl]amino]-5-fluorobenzoic acid
CID 43351263

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[butyl(methyl)sulfamoyl]amino]phenoxy]acetic acid?
The IUPAC name of 2-[3-[[butyl(methyl)sulfamoyl]amino]phenoxy]acetic acid (CID 61058722) is 2-[3-[[butyl(methyl)sulfamoyl]amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[[butyl(methyl)sulfamoyl]amino]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[[butyl(methyl)sulfamoyl]amino]phenoxy]acetic acid is CCCCN(C)S(=O)(=O)Nc1cccc(OCC(=O)O)c1.
What is the InChIKey of 2-[3-[[butyl(methyl)sulfamoyl]amino]phenoxy]acetic acid?
The InChIKey is NMVGGNHYJCKWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5S/c1-3-4-8-15(2)21(18,19)14-11-6-5-7-12(9-11)20-10-13(16)17/h5-7,9,14H,3-4,8,10H2,1-2H3,(H,16,17).
What are the key properties of 2-[3-[[butyl(methyl)sulfamoyl]amino]phenoxy]acetic acid?
2-[3-[[butyl(methyl)sulfamoyl]amino]phenoxy]acetic acid has a molecular weight of 316.38 g/mol, XLogP of 1.54, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[butyl(methyl)sulfamoyl]amino]phenoxy]acetic acid is sourced from PubChem (CID 61058722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).