2-[2-[[methyl(propan-2-yl)sulfamoyl]amino]phenyl]acetic acid

C12H18N2O4S — CID 62536120

IUPAC2-[2-[[methyl(propan-2-yl)sulfamoyl]amino]phenyl]acetic acid
SMILESCC(C)N(C)S(=O)(=O)Nc1ccccc1CC(=O)O
InChIInChI=1S/C12H18N2O4S/c1-9(2)14(3)19(17,18)13-11-7-5-4-6-10(11)8-12(15)16/h4-7,9,13H,8H2,1-3H3,(H,15,16)
InChIKeyDFOUCDNBQVCIKR-UHFFFAOYSA-N
MW286.35 g/mol
LogP1.31
Rot. Bonds6

About 2-[2-[[methyl(propan-2-yl)sulfamoyl]amino]phenyl]acetic acid

2-[2-[[methyl(propan-2-yl)sulfamoyl]amino]phenyl]acetic acid (PubChem CID 62536120) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 2-[2-[[methyl(propan-2-yl)sulfamoyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[methyl(propan-2-yl)sulfamoyl]amino]phenyl]acetic acid
PubChem CID62536120
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name2-[2-[[methyl(propan-2-yl)sulfamoyl]amino]phenyl]acetic acid
SMILESCC(C)N(C)S(=O)(=O)Nc1ccccc1CC(=O)O
InChIInChI=1S/C12H18N2O4S/c1-9(2)14(3)19(17,18)13-11-7-5-4-6-10(11)8-12(15)16/h4-7,9,13H,8H2,1-3H3,(H,15,16)
InChIKeyDFOUCDNBQVCIKR-UHFFFAOYSA-N
XLogP1.31
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
CID 54947668
2-[2-(diethylsulfamoylamino)phenyl]acetic acid
CID 62535925
2-[2-[[butyl(methyl)sulfamoyl]amino]phenyl]acetic acid
CID 62535155
1-[1-(methylamino)ethyl]-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
CID 61455735
1-[1-(ethylamino)ethyl]-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
CID 61455736
2-[2-[[methyl(propan-2-yl)sulfamoyl]amino]phenoxy]ethanethioamide
CID 61453978
2-[2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]phenyl]acetic acid
CID 104553186
3-[[2-[[acetyl(methyl)amino]methyl]phenyl]sulfamoyl]propanoic acid
CID 43708606
2-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]phenyl]acetic acid
CID 62535345
N-methyl-N-[[2-(propan-2-ylsulfonylamino)phenyl]methyl]acetamide
CID 62999124
2-[2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]phenyl]acetic acid
CID 62534809
2-[2-[[2-[ethylsulfonyl(methyl)amino]acetyl]amino]phenyl]acetic acid
CID 119353088

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[methyl(propan-2-yl)sulfamoyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[2-[[methyl(propan-2-yl)sulfamoyl]amino]phenyl]acetic acid (CID 62536120) is 2-[2-[[methyl(propan-2-yl)sulfamoyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[[methyl(propan-2-yl)sulfamoyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[2-[[methyl(propan-2-yl)sulfamoyl]amino]phenyl]acetic acid is CC(C)N(C)S(=O)(=O)Nc1ccccc1CC(=O)O.
What is the InChIKey of 2-[2-[[methyl(propan-2-yl)sulfamoyl]amino]phenyl]acetic acid?
The InChIKey is DFOUCDNBQVCIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-9(2)14(3)19(17,18)13-11-7-5-4-6-10(11)8-12(15)16/h4-7,9,13H,8H2,1-3H3,(H,15,16).
What are the key properties of 2-[2-[[methyl(propan-2-yl)sulfamoyl]amino]phenyl]acetic acid?
2-[2-[[methyl(propan-2-yl)sulfamoyl]amino]phenyl]acetic acid has a molecular weight of 286.35 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[methyl(propan-2-yl)sulfamoyl]amino]phenyl]acetic acid is sourced from PubChem (CID 62536120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).