2-[(2-ethyl-6-methylphenyl)sulfamoyl-methylamino]acetic acid

C12H18N2O4S — CID 84760811

IUPAC2-[(2-ethyl-6-methylphenyl)sulfamoyl-methylamino]acetic acid
SMILESCCc1cccc(C)c1NS(=O)(=O)N(C)CC(=O)O
InChIInChI=1S/C12H18N2O4S/c1-4-10-7-5-6-9(2)12(10)13-19(17,18)14(3)8-11(15)16/h5-7,13H,4,8H2,1-3H3,(H,15,16)
InChIKeySYQKDJNPODMXGJ-UHFFFAOYSA-N
MW286.35 g/mol
LogP1.23
Rot. Bonds6

About 2-[(2-ethyl-6-methylphenyl)sulfamoyl-methylamino]acetic acid

2-[(2-ethyl-6-methylphenyl)sulfamoyl-methylamino]acetic acid (PubChem CID 84760811) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 2-[(2-ethyl-6-methylphenyl)sulfamoyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-ethyl-6-methylphenyl)sulfamoyl-methylamino]acetic acid
PubChem CID84760811
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name2-[(2-ethyl-6-methylphenyl)sulfamoyl-methylamino]acetic acid
SMILESCCc1cccc(C)c1NS(=O)(=O)N(C)CC(=O)O
InChIInChI=1S/C12H18N2O4S/c1-4-10-7-5-6-9(2)12(10)13-19(17,18)14(3)8-11(15)16/h5-7,13H,4,8H2,1-3H3,(H,15,16)
InChIKeySYQKDJNPODMXGJ-UHFFFAOYSA-N
XLogP1.23
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 ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzenesulfonyl(methyl)amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 891784
1-chloro-N-(2-ethyl-6-methylphenyl)methanesulfonamide
CID 63665094
2-[3-[(2-ethyl-6-methylphenyl)sulfamoyl]-4-methoxyphenyl]acetic acid
CID 47072178
2-[(2,6-diethylphenyl)carbamoyl-methylamino]acetic acid
CID 43318386
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
2-bromo-N-(2-ethyl-6-methylphenyl)benzenesulfonamide
CID 26952400
3-chloro-N-(2-ethyl-6-methylphenyl)-2-methylbenzenesulfonamide
CID 60532850
3-(dimethylsulfamoylamino)-6-(2-ethyl-6-methylanilino)pyridazine
CID 113046901
N-(2-ethyl-6-methylphenyl)-5-fluorothiophene-2-sulfonamide
CID 91969496
(E)-N-(2-ethyl-6-methylphenyl)-2-phenylethenesulfonamide
CID 26952385
4-amino-N-(2-ethyl-6-methylphenyl)-2-methylbenzenesulfonamide
CID 43258104
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 27687567

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-6-methylphenyl)sulfamoyl-methylamino]acetic acid?
The IUPAC name of 2-[(2-ethyl-6-methylphenyl)sulfamoyl-methylamino]acetic acid (CID 84760811) is 2-[(2-ethyl-6-methylphenyl)sulfamoyl-methylamino]acetic acid.
What is the SMILES notation for 2-[(2-ethyl-6-methylphenyl)sulfamoyl-methylamino]acetic acid?
The canonical SMILES for 2-[(2-ethyl-6-methylphenyl)sulfamoyl-methylamino]acetic acid is CCc1cccc(C)c1NS(=O)(=O)N(C)CC(=O)O.
What is the InChIKey of 2-[(2-ethyl-6-methylphenyl)sulfamoyl-methylamino]acetic acid?
The InChIKey is SYQKDJNPODMXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-4-10-7-5-6-9(2)12(10)13-19(17,18)14(3)8-11(15)16/h5-7,13H,4,8H2,1-3H3,(H,15,16).
What are the key properties of 2-[(2-ethyl-6-methylphenyl)sulfamoyl-methylamino]acetic acid?
2-[(2-ethyl-6-methylphenyl)sulfamoyl-methylamino]acetic acid has a molecular weight of 286.35 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-6-methylphenyl)sulfamoyl-methylamino]acetic acid is sourced from PubChem (CID 84760811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).