N-(ethylsulfamoyl)-2-(4-methoxyphenoxy)ethanamine

C11H18N2O4S — CID 110415082

IUPACN-(ethylsulfamoyl)-2-(4-methoxyphenoxy)ethanamine
SMILESCCNS(=O)(=O)NCCOc1ccc(OC)cc1
InChIInChI=1S/C11H18N2O4S/c1-3-12-18(14,15)13-8-9-17-11-6-4-10(16-2)5-7-11/h4-7,12-13H,3,8-9H2,1-2H3
InChIKeyCFGOQCLNYLHPRH-UHFFFAOYSA-N
MW274.34 g/mol
LogP0.52
Rot. Bonds8

About N-(ethylsulfamoyl)-2-(4-methoxyphenoxy)ethanamine

N-(ethylsulfamoyl)-2-(4-methoxyphenoxy)ethanamine (PubChem CID 110415082) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is N-(ethylsulfamoyl)-2-(4-methoxyphenoxy)ethanamine.

Molecular Properties

Compound NameN-(ethylsulfamoyl)-2-(4-methoxyphenoxy)ethanamine
PubChem CID110415082
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC NameN-(ethylsulfamoyl)-2-(4-methoxyphenoxy)ethanamine
SMILESCCNS(=O)(=O)NCCOc1ccc(OC)cc1
InChIInChI=1S/C11H18N2O4S/c1-3-12-18(14,15)13-8-9-17-11-6-4-10(16-2)5-7-11/h4-7,12-13H,3,8-9H2,1-2H3
InChIKeyCFGOQCLNYLHPRH-UHFFFAOYSA-N
XLogP0.52
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-ethoxyphenoxy)ethyl]-4-methoxybenzenesulfonamide
CID 40753909
3-[2-(ethylsulfamoylamino)ethoxy]aniline
CID 114804647
N-[2-(4-methylphenoxy)ethyl]ethanesulfonamide
CID 47108527
3,5-dichloro-N-[2-(4-methoxyphenoxy)ethyl]benzenesulfonamide
CID 5018847
N-[(4-methoxyphenyl)methylsulfamoyl]propan-1-amine
CID 110410258
2,4-difluoro-N-[2-(4-methoxyphenoxy)ethyl]benzenesulfonamide
CID 110758295
2-(4-methoxyphenoxy)-N-[2-(4-methoxyphenyl)ethyl]ethanesulfonamide
CID 90518395
N-[2-(4-methoxyphenoxy)ethyl]-3-methylpentan-3-amine
CID 113253720
4-(4-methoxyphenyl)-N-(propylsulfamoyl)butan-1-amine
CID 110628005
ethyl N-[2-(4-aminophenoxy)ethylsulfamoyl]carbamate
CID 114461663
2-(4-methoxyphenoxy)ethanesulfonyl chloride
CID 54594527
N-[3-(4-methoxyphenoxy)propyl]acetamide
CID 60578635

Frequently Asked Questions

What is the IUPAC name of N-(ethylsulfamoyl)-2-(4-methoxyphenoxy)ethanamine?
The IUPAC name of N-(ethylsulfamoyl)-2-(4-methoxyphenoxy)ethanamine (CID 110415082) is N-(ethylsulfamoyl)-2-(4-methoxyphenoxy)ethanamine.
What is the SMILES notation for N-(ethylsulfamoyl)-2-(4-methoxyphenoxy)ethanamine?
The canonical SMILES for N-(ethylsulfamoyl)-2-(4-methoxyphenoxy)ethanamine is CCNS(=O)(=O)NCCOc1ccc(OC)cc1.
What is the InChIKey of N-(ethylsulfamoyl)-2-(4-methoxyphenoxy)ethanamine?
The InChIKey is CFGOQCLNYLHPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-3-12-18(14,15)13-8-9-17-11-6-4-10(16-2)5-7-11/h4-7,12-13H,3,8-9H2,1-2H3.
What are the key properties of N-(ethylsulfamoyl)-2-(4-methoxyphenoxy)ethanamine?
N-(ethylsulfamoyl)-2-(4-methoxyphenoxy)ethanamine has a molecular weight of 274.34 g/mol, XLogP of 0.52, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylsulfamoyl)-2-(4-methoxyphenoxy)ethanamine is sourced from PubChem (CID 110415082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).