ethyl N-[1-(4-aminophenyl)ethylsulfamoyl]carbamate

C11H17N3O4S — CID 114461541

IUPACethyl N-[1-(4-aminophenyl)ethylsulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)NC(C)c1ccc(N)cc1
InChIInChI=1S/C11H17N3O4S/c1-3-18-11(15)14-19(16,17)13-8(2)9-4-6-10(12)7-5-9/h4-8,13H,3,12H2,1-2H3,(H,14,15)
InChIKeyIPFIBKOMEUKFNW-UHFFFAOYSA-N
MW287.34 g/mol
LogP0.91
Rot. Bonds5

About ethyl N-[1-(4-aminophenyl)ethylsulfamoyl]carbamate

ethyl N-[1-(4-aminophenyl)ethylsulfamoyl]carbamate (PubChem CID 114461541) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is ethyl N-[1-(4-aminophenyl)ethylsulfamoyl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-(4-aminophenyl)ethylsulfamoyl]carbamate
PubChem CID114461541
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Nameethyl N-[1-(4-aminophenyl)ethylsulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)NC(C)c1ccc(N)cc1
InChIInChI=1S/C11H17N3O4S/c1-3-18-11(15)14-19(16,17)13-8(2)9-4-6-10(12)7-5-9/h4-8,13H,3,12H2,1-2H3,(H,14,15)
InChIKeyIPFIBKOMEUKFNW-UHFFFAOYSA-N
XLogP0.91
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl N-[1-(4-aminophenyl)ethylsulfamoyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-(methylsulfamoylamino)ethyl]aniline
CID 114804323
ethyl N-[[(1R)-2-hydroxy-1-phenylethyl]sulfamoyl]carbamate
CID 107863586
ethyl N-[(2-bromo-1-phenylethyl)sulfamoyl]carbamate
CID 114466749
ethyl N-(1-bromopropan-2-ylsulfamoyl)carbamate
CID 114466677
ethyl N-[2-(4-aminophenoxy)ethylsulfamoyl]carbamate
CID 114461663
propan-2-yl N-[1-(3-aminophenyl)ethylsulfamoyl]carbamate
CID 114461545
methyl 2-(ethoxycarbonylsulfamoylamino)-4-methylpentanoate
CID 114465372
ethyl N-[(5-amino-2-pyridinyl)sulfamoyl]carbamate
CID 114461535
propan-2-yl N-[[2-(4-aminophenyl)-2-hydroxyethyl]sulfamoyl]carbamate
CID 114461589
ethyl N-[(4-aminophenyl)-propylsulfamoyl]carbamate
CID 114461735
ethyl N-[[(1S)-1-phenylethyl]amino]carbamate
CID 76967986
ethyl N-[(2-hydroxy-2-phenylethyl)sulfamoyl]carbamate
CID 114464098

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-(4-aminophenyl)ethylsulfamoyl]carbamate?
The IUPAC name of ethyl N-[1-(4-aminophenyl)ethylsulfamoyl]carbamate (CID 114461541) is ethyl N-[1-(4-aminophenyl)ethylsulfamoyl]carbamate.
What is the SMILES notation for ethyl N-[1-(4-aminophenyl)ethylsulfamoyl]carbamate?
The canonical SMILES for ethyl N-[1-(4-aminophenyl)ethylsulfamoyl]carbamate is CCOC(=O)NS(=O)(=O)NC(C)c1ccc(N)cc1.
What is the InChIKey of ethyl N-[1-(4-aminophenyl)ethylsulfamoyl]carbamate?
The InChIKey is IPFIBKOMEUKFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-3-18-11(15)14-19(16,17)13-8(2)9-4-6-10(12)7-5-9/h4-8,13H,3,12H2,1-2H3,(H,14,15).
What are the key properties of ethyl N-[1-(4-aminophenyl)ethylsulfamoyl]carbamate?
ethyl N-[1-(4-aminophenyl)ethylsulfamoyl]carbamate has a molecular weight of 287.34 g/mol, XLogP of 0.91, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-(4-aminophenyl)ethylsulfamoyl]carbamate is sourced from PubChem (CID 114461541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).