N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-ethoxyphenoxy)acetamide;hydrochloride

C18H24ClN3O5S — CID 119465426

IUPACN-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-ethoxyphenoxy)acetamide;hydrochloride
SMILESCCOc1ccccc1OCC(=O)Nc1cccc(S(=O)(=O)NCCN)c1.Cl
InChIInChI=1S/C18H23N3O5S.ClH/c1-2-25-16-8-3-4-9-17(16)26-13-18(22)21-14-6-5-7-15(12-14)27(23,24)20-11-10-19;/h3-9,12,20H,2,10-11,13,19H2,1H3,(H,21,22);1H
InChIKeyDXJCKJLXQRLVOX-UHFFFAOYSA-N
MW429.93 g/mol
LogP1.76
Rot. Bonds10

About N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-ethoxyphenoxy)acetamide;hydrochloride

N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-ethoxyphenoxy)acetamide;hydrochloride (PubChem CID 119465426) has the molecular formula C18H24ClN3O5S and a molecular weight of 429.93 g/mol. Its IUPAC name is N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-ethoxyphenoxy)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-ethoxyphenoxy)acetamide;hydrochloride
PubChem CID119465426
Molecular FormulaC18H24ClN3O5S
Molecular Weight429.93 g/mol
Exact Mass429.11
IUPAC NameN-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-ethoxyphenoxy)acetamide;hydrochloride
SMILESCCOc1ccccc1OCC(=O)Nc1cccc(S(=O)(=O)NCCN)c1.Cl
InChIInChI=1S/C18H23N3O5S.ClH/c1-2-25-16-8-3-4-9-17(16)26-13-18(22)21-14-6-5-7-15(12-14)27(23,24)20-11-10-19;/h3-9,12,20H,2,10-11,13,19H2,1H3,(H,21,22);1H
InChIKeyDXJCKJLXQRLVOX-UHFFFAOYSA-N
XLogP1.76
TPSA119.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.93
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methoxyacetamide
CID 119465555
2-(2-ethoxyphenoxy)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 30601573
N-[3-(2-aminoethylsulfamoyl)phenyl]-3,4-dimethylpentanamide;hydrochloride
CID 119466058
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-pentylsulfonylacetamide;hydrochloride
CID 119465372
N-[3-(2-aminoethylsulfamoyl)phenyl]-3-methylhexanamide;hydrochloride
CID 119465624
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-fluorophenoxy)butanamide;hydrochloride
CID 119466096
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-methylphenoxy)butanamide;hydrochloride
CID 119466092
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-ethoxypropanamide
CID 119465913
N'-[3-(2-aminoethylsulfamoyl)phenyl]-N-ethylpentanediamide
CID 119465943
N-(2-aminoethyl)-3-ethoxybenzenesulfonamide;hydrochloride
CID 120998864
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methoxypropanamide
CID 119466051
N-[3-(butylsulfamoyl)phenyl]-2-(3,5-dimethylphenoxy)acetamide
CID 8510926

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-ethoxyphenoxy)acetamide;hydrochloride?
The IUPAC name of N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-ethoxyphenoxy)acetamide;hydrochloride (CID 119465426) is N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-ethoxyphenoxy)acetamide;hydrochloride.
What is the SMILES notation for N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-ethoxyphenoxy)acetamide;hydrochloride?
The canonical SMILES for N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-ethoxyphenoxy)acetamide;hydrochloride is CCOc1ccccc1OCC(=O)Nc1cccc(S(=O)(=O)NCCN)c1.Cl.
What is the InChIKey of N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-ethoxyphenoxy)acetamide;hydrochloride?
The InChIKey is DXJCKJLXQRLVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5S.ClH/c1-2-25-16-8-3-4-9-17(16)26-13-18(22)21-14-6-5-7-15(12-14)27(23,24)20-11-10-19;/h3-9,12,20H,2,10-11,13,19H2,1H3,(H,21,22);1H.
What are the key properties of N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-ethoxyphenoxy)acetamide;hydrochloride?
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-ethoxyphenoxy)acetamide;hydrochloride has a molecular weight of 429.93 g/mol, XLogP of 1.76, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-ethoxyphenoxy)acetamide;hydrochloride is sourced from PubChem (CID 119465426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).