ethyl N-[2-(4-aminophenoxy)ethylsulfamoyl]carbamate

C11H17N3O5S — CID 114461663

IUPACethyl N-[2-(4-aminophenoxy)ethylsulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)NCCOc1ccc(N)cc1
InChIInChI=1S/C11H17N3O5S/c1-2-18-11(15)14-20(16,17)13-7-8-19-10-5-3-9(12)4-6-10/h3-6,13H,2,7-8,12H2,1H3,(H,14,15)
InChIKeyRCXRBLZZNBHBFG-UHFFFAOYSA-N
MW303.34 g/mol
LogP0.23
Rot. Bonds7

About ethyl N-[2-(4-aminophenoxy)ethylsulfamoyl]carbamate

ethyl N-[2-(4-aminophenoxy)ethylsulfamoyl]carbamate (PubChem CID 114461663) has the molecular formula C11H17N3O5S and a molecular weight of 303.34 g/mol. Its IUPAC name is ethyl N-[2-(4-aminophenoxy)ethylsulfamoyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(4-aminophenoxy)ethylsulfamoyl]carbamate
PubChem CID114461663
Molecular FormulaC11H17N3O5S
Molecular Weight303.34 g/mol
Exact Mass303.09
IUPAC Nameethyl N-[2-(4-aminophenoxy)ethylsulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)NCCOc1ccc(N)cc1
InChIInChI=1S/C11H17N3O5S/c1-2-18-11(15)14-20(16,17)13-7-8-19-10-5-3-9(12)4-6-10/h3-6,13H,2,7-8,12H2,1H3,(H,14,15)
InChIKeyRCXRBLZZNBHBFG-UHFFFAOYSA-N
XLogP0.23
TPSA119.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

ethyl N-(propylsulfamoyl)carbamate
CID 114463072
ethyl N-(2-chloroethylsulfamoyl)carbamate
CID 114464062
ethyl N-[1-(4-aminophenyl)ethylsulfamoyl]carbamate
CID 114461541
1-amino-4-[2-(dipropylsulfamoylamino)ethoxy]benzene
CID 63238378
ethyl 2-[5-(4-aminophenoxy)pentylamino]-2-oxoacetate;methanesulfonic acid
CID 20833927
ethyl N-[(5-amino-2-pyridinyl)sulfamoyl]carbamate
CID 114461535
3-(4-aminophenoxy)propylcarbamic acid
CID 22640978
ethyl N-(3-aminopentylsulfamoyl)carbamate
CID 114467103
ethyl N-(5-chloropentylsulfamoyl)carbamate
CID 107322727
N-[2-(4-aminophenoxy)ethyl]-2-methylsulfonylpropanamide
CID 104517296
N-(ethylsulfamoyl)-2-(4-methoxyphenoxy)ethanamine
CID 110415082
4-amino-N-[2-(3,4-dimethylphenoxy)ethyl]benzenesulfonamide
CID 9157907

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(4-aminophenoxy)ethylsulfamoyl]carbamate?
The IUPAC name of ethyl N-[2-(4-aminophenoxy)ethylsulfamoyl]carbamate (CID 114461663) is ethyl N-[2-(4-aminophenoxy)ethylsulfamoyl]carbamate.
What is the SMILES notation for ethyl N-[2-(4-aminophenoxy)ethylsulfamoyl]carbamate?
The canonical SMILES for ethyl N-[2-(4-aminophenoxy)ethylsulfamoyl]carbamate is CCOC(=O)NS(=O)(=O)NCCOc1ccc(N)cc1.
What is the InChIKey of ethyl N-[2-(4-aminophenoxy)ethylsulfamoyl]carbamate?
The InChIKey is RCXRBLZZNBHBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O5S/c1-2-18-11(15)14-20(16,17)13-7-8-19-10-5-3-9(12)4-6-10/h3-6,13H,2,7-8,12H2,1H3,(H,14,15).
What are the key properties of ethyl N-[2-(4-aminophenoxy)ethylsulfamoyl]carbamate?
ethyl N-[2-(4-aminophenoxy)ethylsulfamoyl]carbamate has a molecular weight of 303.34 g/mol, XLogP of 0.23, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(4-aminophenoxy)ethylsulfamoyl]carbamate is sourced from PubChem (CID 114461663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).