2-amino-2-[4-(diethylsulfamoyl)phenyl]acetic acid

C12H18N2O4S — CID 5179933

IUPAC2-amino-2-[4-(diethylsulfamoyl)phenyl]acetic acid
SMILESCCN(CC)S(=O)(=O)c1ccc(C(N)C(=O)O)cc1
InChIInChI=1S/C12H18N2O4S/c1-3-14(4-2)19(17,18)10-7-5-9(6-8-10)11(13)12(15)16/h5-8,11H,3-4,13H2,1-2H3,(H,15,16)
InChIKeyMYFUJJVZTAKDKP-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.80
Rot. Bonds6

About 2-amino-2-[4-(diethylsulfamoyl)phenyl]acetic acid

2-amino-2-[4-(diethylsulfamoyl)phenyl]acetic acid (PubChem CID 5179933) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 2-amino-2-[4-(diethylsulfamoyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[4-(diethylsulfamoyl)phenyl]acetic acid
PubChem CID5179933
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name2-amino-2-[4-(diethylsulfamoyl)phenyl]acetic acid
SMILESCCN(CC)S(=O)(=O)c1ccc(C(N)C(=O)O)cc1
InChIInChI=1S/C12H18N2O4S/c1-3-14(4-2)19(17,18)10-7-5-9(6-8-10)11(13)12(15)16/h5-8,11H,3-4,13H2,1-2H3,(H,15,16)
InChIKeyMYFUJJVZTAKDKP-UHFFFAOYSA-N
XLogP0.80
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-phenylacetamide
CID 119272071
(2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide
CID 119269826
(2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide;hydrochloride
CID 119269825
(2S)-2-amino-2-(4-sulfophenyl)acetic acid
CID 46885569
4-(1-aminoethyl)-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 54879790
4-[(1R)-2-bromo-1-hydroxyethyl]-N,N-diethylbenzenesulfonamide
CID 25324249
4-(2-bromo-1-hydroxyethyl)-N,N-diethylbenzenesulfonamide
CID 53406864
3-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]butanamide;hydrochloride
CID 119686834
N-[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-methylthiophene-2-carboxamide
CID 31526246
(2R)-2-[[4-(diethylsulfamoyl)benzoyl]amino]-2-phenylacetic acid
CID 119367792
N,N-diethyl-4-trimethylsilylbenzenesulfonamide
CID 11254658
[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]azanium
CID 8650554

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[4-(diethylsulfamoyl)phenyl]acetic acid?
The IUPAC name of 2-amino-2-[4-(diethylsulfamoyl)phenyl]acetic acid (CID 5179933) is 2-amino-2-[4-(diethylsulfamoyl)phenyl]acetic acid.
What is the SMILES notation for 2-amino-2-[4-(diethylsulfamoyl)phenyl]acetic acid?
The canonical SMILES for 2-amino-2-[4-(diethylsulfamoyl)phenyl]acetic acid is CCN(CC)S(=O)(=O)c1ccc(C(N)C(=O)O)cc1.
What is the InChIKey of 2-amino-2-[4-(diethylsulfamoyl)phenyl]acetic acid?
The InChIKey is MYFUJJVZTAKDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-3-14(4-2)19(17,18)10-7-5-9(6-8-10)11(13)12(15)16/h5-8,11H,3-4,13H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-2-[4-(diethylsulfamoyl)phenyl]acetic acid?
2-amino-2-[4-(diethylsulfamoyl)phenyl]acetic acid has a molecular weight of 286.35 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[4-(diethylsulfamoyl)phenyl]acetic acid is sourced from PubChem (CID 5179933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).