ethyl N-[(2-aminophenyl)-ethylsulfamoyl]carbamate

C11H17N3O4S — CID 114461695

IUPACethyl N-[(2-aminophenyl)-ethylsulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)N(CC)c1ccccc1N
InChIInChI=1S/C11H17N3O4S/c1-3-14(10-8-6-5-7-9(10)12)19(16,17)13-11(15)18-4-2/h5-8H,3-4,12H2,1-2H3,(H,13,15)
InChIKeyOUPWFJXRGYCUNL-UHFFFAOYSA-N
MW287.34 g/mol
LogP1.09
Rot. Bonds5

About ethyl N-[(2-aminophenyl)-ethylsulfamoyl]carbamate

ethyl N-[(2-aminophenyl)-ethylsulfamoyl]carbamate (PubChem CID 114461695) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is ethyl N-[(2-aminophenyl)-ethylsulfamoyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(2-aminophenyl)-ethylsulfamoyl]carbamate
PubChem CID114461695
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Nameethyl N-[(2-aminophenyl)-ethylsulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)N(CC)c1ccccc1N
InChIInChI=1S/C11H17N3O4S/c1-3-14(10-8-6-5-7-9(10)12)19(16,17)13-11(15)18-4-2/h5-8H,3-4,12H2,1-2H3,(H,13,15)
InChIKeyOUPWFJXRGYCUNL-UHFFFAOYSA-N
XLogP1.09
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 51.09
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

methyl N-[(2-aminophenyl)-(2-hydroxyethyl)sulfamoyl]carbamate
CID 114461612
2-[2-amino-N-(methoxycarbonylsulfamoyl)anilino]acetic acid
CID 114461718
propan-2-yl N-[(2-aminophenyl)-propylsulfamoyl]carbamate
CID 114461730
N-(2-aminophenyl)-N-ethyl-1,1-difluoromethanesulfonamide
CID 62102958
ethyl N-[(4-aminophenyl)-propylsulfamoyl]carbamate
CID 114461735
ethyl N-(4-aminonaphthalen-1-yl)sulfonylcarbamate
CID 174606445
ethyl N-[[2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-methylsulfamoyl]carbamate
CID 114465982
ethyl 2-(2-amino-N-ethylanilino)acetate
CID 62102481
N-(2-aminophenyl)-N-ethylthiophene-2-sulfonamide
CID 62102311
2-[2-amino-N-(propylsulfamoyl)anilino]acetic acid
CID 114804778
ethyl N-[3-aminopropyl(benzyl)sulfamoyl]carbamate
CID 107366642
N-(2-aminophenyl)-N-ethyl-3-methoxypropane-1-sulfonamide
CID 55170956

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(2-aminophenyl)-ethylsulfamoyl]carbamate?
The IUPAC name of ethyl N-[(2-aminophenyl)-ethylsulfamoyl]carbamate (CID 114461695) is ethyl N-[(2-aminophenyl)-ethylsulfamoyl]carbamate.
What is the SMILES notation for ethyl N-[(2-aminophenyl)-ethylsulfamoyl]carbamate?
The canonical SMILES for ethyl N-[(2-aminophenyl)-ethylsulfamoyl]carbamate is CCOC(=O)NS(=O)(=O)N(CC)c1ccccc1N.
What is the InChIKey of ethyl N-[(2-aminophenyl)-ethylsulfamoyl]carbamate?
The InChIKey is OUPWFJXRGYCUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-3-14(10-8-6-5-7-9(10)12)19(16,17)13-11(15)18-4-2/h5-8H,3-4,12H2,1-2H3,(H,13,15).
What are the key properties of ethyl N-[(2-aminophenyl)-ethylsulfamoyl]carbamate?
ethyl N-[(2-aminophenyl)-ethylsulfamoyl]carbamate has a molecular weight of 287.34 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(2-aminophenyl)-ethylsulfamoyl]carbamate is sourced from PubChem (CID 114461695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).