methyl 2-[1-(4-sulfamoylphenyl)ethylamino]acetate

C11H16N2O4S — CID 43228683

IUPACmethyl 2-[1-(4-sulfamoylphenyl)ethylamino]acetate
SMILESCOC(=O)CNC(C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H16N2O4S/c1-8(13-7-11(14)17-2)9-3-5-10(6-4-9)18(12,15)16/h3-6,8,13H,7H2,1-2H3,(H2,12,15,16)
InChIKeyLQSGJLYJCYKNHQ-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.16
Rot. Bonds5

About methyl 2-[1-(4-sulfamoylphenyl)ethylamino]acetate

methyl 2-[1-(4-sulfamoylphenyl)ethylamino]acetate (PubChem CID 43228683) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is methyl 2-[1-(4-sulfamoylphenyl)ethylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(4-sulfamoylphenyl)ethylamino]acetate
PubChem CID43228683
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Namemethyl 2-[1-(4-sulfamoylphenyl)ethylamino]acetate
SMILESCOC(=O)CNC(C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H16N2O4S/c1-8(13-7-11(14)17-2)9-3-5-10(6-4-9)18(12,15)16/h3-6,8,13H,7H2,1-2H3,(H2,12,15,16)
InChIKeyLQSGJLYJCYKNHQ-UHFFFAOYSA-N
XLogP0.16
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-propan-2-yl-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide
CID 43218255
N-tert-butyl-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide
CID 115356169
N-(2-methylpropyl)-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide
CID 115571074
N-propyl-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide
CID 43226335
4-[1-(2-methoxyethylamino)ethyl]benzenesulfonamide
CID 43426324
methyl 2-[1-[4-(dimethylamino)phenyl]ethylamino]acetate
CID 43756855
1-propan-2-yl-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea
CID 25362862
4-[1-(3-aminopropylamino)ethyl]benzenesulfonamide
CID 60890115
4-[1-(1-methoxypropan-2-ylamino)ethyl]benzenesulfonamide
CID 43758356
4-[1-[(4-bromophenyl)methylamino]ethyl]benzenesulfonamide
CID 43426311
4-[1-[2-(tert-butylamino)ethylamino]ethyl]benzenesulfonamide
CID 107444925
4-[1-[2-(dimethylamino)ethylamino]ethyl]benzenesulfonamide
CID 43754787

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(4-sulfamoylphenyl)ethylamino]acetate?
The IUPAC name of methyl 2-[1-(4-sulfamoylphenyl)ethylamino]acetate (CID 43228683) is methyl 2-[1-(4-sulfamoylphenyl)ethylamino]acetate.
What is the SMILES notation for methyl 2-[1-(4-sulfamoylphenyl)ethylamino]acetate?
The canonical SMILES for methyl 2-[1-(4-sulfamoylphenyl)ethylamino]acetate is COC(=O)CNC(C)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of methyl 2-[1-(4-sulfamoylphenyl)ethylamino]acetate?
The InChIKey is LQSGJLYJCYKNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-8(13-7-11(14)17-2)9-3-5-10(6-4-9)18(12,15)16/h3-6,8,13H,7H2,1-2H3,(H2,12,15,16).
What are the key properties of methyl 2-[1-(4-sulfamoylphenyl)ethylamino]acetate?
methyl 2-[1-(4-sulfamoylphenyl)ethylamino]acetate has a molecular weight of 272.33 g/mol, XLogP of 0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(4-sulfamoylphenyl)ethylamino]acetate is sourced from PubChem (CID 43228683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).