methyl 2-[1-(2-aminophenyl)ethylsulfamoyl]acetate

C11H16N2O4S — CID 54952516

IUPACmethyl 2-[1-(2-aminophenyl)ethylsulfamoyl]acetate
SMILESCOC(=O)CS(=O)(=O)NC(C)c1ccccc1N
InChIInChI=1S/C11H16N2O4S/c1-8(9-5-3-4-6-10(9)12)13-18(15,16)7-11(14)17-2/h3-6,8,13H,7,12H2,1-2H3
InChIKeyFPQOBQZGGMNXKB-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.42
Rot. Bonds5

About methyl 2-[1-(2-aminophenyl)ethylsulfamoyl]acetate

methyl 2-[1-(2-aminophenyl)ethylsulfamoyl]acetate (PubChem CID 54952516) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is methyl 2-[1-(2-aminophenyl)ethylsulfamoyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(2-aminophenyl)ethylsulfamoyl]acetate
PubChem CID54952516
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Namemethyl 2-[1-(2-aminophenyl)ethylsulfamoyl]acetate
SMILESCOC(=O)CS(=O)(=O)NC(C)c1ccccc1N
InChIInChI=1S/C11H16N2O4S/c1-8(9-5-3-4-6-10(9)12)13-18(15,16)7-11(14)17-2/h3-6,8,13H,7,12H2,1-2H3
InChIKeyFPQOBQZGGMNXKB-UHFFFAOYSA-N
XLogP0.42
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 ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-aminophenyl)ethyl]butane-1-sulfonamide
CID 43298052
methyl 2-[1-(3-aminophenyl)ethylsulfamoyl]acetate
CID 61359928
methyl 2-[(2-aminophenyl)sulfamoyl]acetate
CID 14002853
N-[1-(2-aminophenyl)ethyl]-2-pyridin-4-ylethanesulfonamide
CID 60892670
2-[1-(2-methylphenyl)ethylsulfamoyl]acetic acid
CID 43361953
N-[1-(2-aminophenyl)ethyl]propanamide
CID 43297760
2-(1-aminoethyl)aniline;sulfuric acid
CID 67830169
(2S)-2-[(2-methoxy-2-oxoethyl)sulfonylamino]-3-phenylpropanoic acid
CID 61359341
N-[1-(2-aminophenyl)ethyl]-2-methylpropanamide
CID 43297755
N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanesulfonamide
CID 28560659
ethyl 2-[1-(3-aminophenyl)ethylsulfamoyl]acetate
CID 61456809
N-[1-(2-aminophenyl)ethyl]-2-phenoxyacetamide
CID 43297835

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(2-aminophenyl)ethylsulfamoyl]acetate?
The IUPAC name of methyl 2-[1-(2-aminophenyl)ethylsulfamoyl]acetate (CID 54952516) is methyl 2-[1-(2-aminophenyl)ethylsulfamoyl]acetate.
What is the SMILES notation for methyl 2-[1-(2-aminophenyl)ethylsulfamoyl]acetate?
The canonical SMILES for methyl 2-[1-(2-aminophenyl)ethylsulfamoyl]acetate is COC(=O)CS(=O)(=O)NC(C)c1ccccc1N.
What is the InChIKey of methyl 2-[1-(2-aminophenyl)ethylsulfamoyl]acetate?
The InChIKey is FPQOBQZGGMNXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-8(9-5-3-4-6-10(9)12)13-18(15,16)7-11(14)17-2/h3-6,8,13H,7,12H2,1-2H3.
What are the key properties of methyl 2-[1-(2-aminophenyl)ethylsulfamoyl]acetate?
methyl 2-[1-(2-aminophenyl)ethylsulfamoyl]acetate has a molecular weight of 272.33 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(2-aminophenyl)ethylsulfamoyl]acetate is sourced from PubChem (CID 54952516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).