ethyl 2-[(4-amino-2-methoxyphenyl)sulfamoyl]acetate

C11H16N2O5S — CID 61456593

IUPACethyl 2-[(4-amino-2-methoxyphenyl)sulfamoyl]acetate
SMILESCCOC(=O)CS(=O)(=O)Nc1ccc(N)cc1OC
InChIInChI=1S/C11H16N2O5S/c1-3-18-11(14)7-19(15,16)13-9-5-4-8(12)6-10(9)17-2/h4-6,13H,3,7,12H2,1-2H3
InChIKeyDVJIYYBDIIHEDV-UHFFFAOYSA-N
MW288.33 g/mol
LogP0.58
Rot. Bonds6

About ethyl 2-[(4-amino-2-methoxyphenyl)sulfamoyl]acetate

ethyl 2-[(4-amino-2-methoxyphenyl)sulfamoyl]acetate (PubChem CID 61456593) has the molecular formula C11H16N2O5S and a molecular weight of 288.33 g/mol. Its IUPAC name is ethyl 2-[(4-amino-2-methoxyphenyl)sulfamoyl]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-amino-2-methoxyphenyl)sulfamoyl]acetate
PubChem CID61456593
Molecular FormulaC11H16N2O5S
Molecular Weight288.33 g/mol
Exact Mass288.08
IUPAC Nameethyl 2-[(4-amino-2-methoxyphenyl)sulfamoyl]acetate
SMILESCCOC(=O)CS(=O)(=O)Nc1ccc(N)cc1OC
InChIInChI=1S/C11H16N2O5S/c1-3-18-11(14)7-19(15,16)13-9-5-4-8(12)6-10(9)17-2/h4-6,13H,3,7,12H2,1-2H3
InChIKeyDVJIYYBDIIHEDV-UHFFFAOYSA-N
XLogP0.58
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[(5-amino-2-chlorophenyl)sulfamoyl]acetate
CID 54952001
ethyl 2-[(4-amino-2-cyanophenyl)sulfamoyl]acetate
CID 61456595
ethyl 2-[(2-hydroxyphenyl)sulfamoyl]acetate
CID 54952211
ethyl 2-[(3-amino-2-methylphenyl)sulfamoyl]acetate
CID 54952571
ethyl 2-[[2-amino-4-(trifluoromethyl)phenyl]sulfamoyl]acetate
CID 61457117
1-N-ethyl-2-methoxybenzene-1,4-diamine
CID 23391843
ethyl 2-[3-(4-amino-2-methoxyanilino)-3-oxopropyl]sulfanylacetate
CID 43618313
ethyl 2-[(2-bromo-4-chlorophenyl)sulfamoyl]acetate
CID 81274474
N-(4-amino-2-methoxyphenyl)-1-cyclohexylmethanesulfonamide
CID 61453809
ethyl 2-[[2-(1-hydroxyethyl)phenyl]sulfamoyl]acetate
CID 61457351
2-[(2,4-dimethoxyphenyl)sulfamoyl]acetic acid
CID 28774020
ethyl 2-[(5-amino-2,4-difluorophenyl)sulfamoyl]acetate
CID 61456632

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-amino-2-methoxyphenyl)sulfamoyl]acetate?
The IUPAC name of ethyl 2-[(4-amino-2-methoxyphenyl)sulfamoyl]acetate (CID 61456593) is ethyl 2-[(4-amino-2-methoxyphenyl)sulfamoyl]acetate.
What is the SMILES notation for ethyl 2-[(4-amino-2-methoxyphenyl)sulfamoyl]acetate?
The canonical SMILES for ethyl 2-[(4-amino-2-methoxyphenyl)sulfamoyl]acetate is CCOC(=O)CS(=O)(=O)Nc1ccc(N)cc1OC.
What is the InChIKey of ethyl 2-[(4-amino-2-methoxyphenyl)sulfamoyl]acetate?
The InChIKey is DVJIYYBDIIHEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S/c1-3-18-11(14)7-19(15,16)13-9-5-4-8(12)6-10(9)17-2/h4-6,13H,3,7,12H2,1-2H3.
What are the key properties of ethyl 2-[(4-amino-2-methoxyphenyl)sulfamoyl]acetate?
ethyl 2-[(4-amino-2-methoxyphenyl)sulfamoyl]acetate has a molecular weight of 288.33 g/mol, XLogP of 0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-amino-2-methoxyphenyl)sulfamoyl]acetate is sourced from PubChem (CID 61456593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).