N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methoxyacetamide

C11H17N3O4S — CID 119465555

IUPACN-[3-(2-aminoethylsulfamoyl)phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cccc(S(=O)(=O)NCCN)c1
InChIInChI=1S/C11H17N3O4S/c1-18-8-11(15)14-9-3-2-4-10(7-9)19(16,17)13-6-5-12/h2-4,7,13H,5-6,8,12H2,1H3,(H,14,15)
InChIKeyJMIKFUJMHHBXBS-UHFFFAOYSA-N
MW287.34 g/mol
LogP-0.49
Rot. Bonds7

About N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methoxyacetamide

N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methoxyacetamide (PubChem CID 119465555) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[3-(2-aminoethylsulfamoyl)phenyl]-2-methoxyacetamide
PubChem CID119465555
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC NameN-[3-(2-aminoethylsulfamoyl)phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cccc(S(=O)(=O)NCCN)c1
InChIInChI=1S/C11H17N3O4S/c1-18-8-11(15)14-9-3-2-4-10(7-9)19(16,17)13-6-5-12/h2-4,7,13H,5-6,8,12H2,1H3,(H,14,15)
InChIKeyJMIKFUJMHHBXBS-UHFFFAOYSA-N
XLogP-0.49
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-[3-(methylsulfamoyl)phenyl]acetamide
CID 47175857
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-ethoxyphenoxy)acetamide;hydrochloride
CID 119465426
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methoxypropanamide
CID 119466051
N'-[3-(2-aminoethylsulfamoyl)phenyl]-N-ethylpentanediamide
CID 119465943
N-[3-(2-aminoethylsulfamoyl)phenyl]-3,4-dimethylpentanamide;hydrochloride
CID 119466058
N-[3-(2-aminoethylsulfamoyl)phenyl]hex-5-enamide
CID 119465969
N-[3-(2-aminoethylsulfamoyl)phenyl]-3-methylhexanamide;hydrochloride
CID 119465624
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-pentylsulfonylacetamide;hydrochloride
CID 119465372
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-ethoxypropanamide
CID 119465913
N-[3-(2-aminoethylsulfamoyl)phenyl]-4-prop-2-enoxybutanamide
CID 119465611
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)propanamide
CID 119465897
N-[3-(2-aminoethylsulfamoyl)phenyl]-3-cyclopentylpropanamide;hydrochloride
CID 119260164

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methoxyacetamide?
The IUPAC name of N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methoxyacetamide (CID 119465555) is N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methoxyacetamide.
What is the SMILES notation for N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methoxyacetamide?
The canonical SMILES for N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methoxyacetamide is COCC(=O)Nc1cccc(S(=O)(=O)NCCN)c1.
What is the InChIKey of N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methoxyacetamide?
The InChIKey is JMIKFUJMHHBXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-18-8-11(15)14-9-3-2-4-10(7-9)19(16,17)13-6-5-12/h2-4,7,13H,5-6,8,12H2,1H3,(H,14,15).
What are the key properties of N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methoxyacetamide?
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methoxyacetamide has a molecular weight of 287.34 g/mol, XLogP of -0.49, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methoxyacetamide is sourced from PubChem (CID 119465555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).