2-[2-[[2-(aminomethyl)phenyl]sulfonylamino]ethoxy]acetamide

C11H17N3O4S — CID 106235304

IUPAC2-[2-[[2-(aminomethyl)phenyl]sulfonylamino]ethoxy]acetamide
SMILESNCc1ccccc1S(=O)(=O)NCCOCC(N)=O
InChIInChI=1S/C11H17N3O4S/c12-7-9-3-1-2-4-10(9)19(16,17)14-5-6-18-8-11(13)15/h1-4,14H,5-8,12H2,(H2,13,15)
InChIKeyINWWRZCPESGTKC-UHFFFAOYSA-N
MW287.34 g/mol
LogP-1.07
Rot. Bonds8

About 2-[2-[[2-(aminomethyl)phenyl]sulfonylamino]ethoxy]acetamide

2-[2-[[2-(aminomethyl)phenyl]sulfonylamino]ethoxy]acetamide (PubChem CID 106235304) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-[2-[[2-(aminomethyl)phenyl]sulfonylamino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[[2-(aminomethyl)phenyl]sulfonylamino]ethoxy]acetamide
PubChem CID106235304
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Name2-[2-[[2-(aminomethyl)phenyl]sulfonylamino]ethoxy]acetamide
SMILESNCc1ccccc1S(=O)(=O)NCCOCC(N)=O
InChIInChI=1S/C11H17N3O4S/c12-7-9-3-1-2-4-10(9)19(16,17)14-5-6-18-8-11(13)15/h1-4,14H,5-8,12H2,(H2,13,15)
InChIKeyINWWRZCPESGTKC-UHFFFAOYSA-N
XLogP-1.07
TPSA124.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(benzenesulfonamido)ethoxy]acetamide
CID 103766575
2-[2-[[2-(propylamino)-3-pyridinyl]sulfonylamino]ethoxy]acetamide
CID 106240994
2-[2-[(4-amino-2-methylphenyl)sulfonylamino]ethoxy]acetamide
CID 106233837
2-[2-[(2-amino-5-bromophenyl)sulfonylamino]ethoxy]acetamide
CID 106233732
2-[2-(2-sulfamoylanilino)ethoxy]acetamide
CID 114162595
2-[2-[(2-amino-4,5-dimethylphenyl)sulfonylamino]ethoxy]acetamide
CID 106233857
N-(2-ethoxyethyl)-2-(ethylaminomethyl)benzenesulfonamide
CID 106019677
2-[2-[[4-(propylamino)phenyl]sulfonylamino]ethoxy]acetamide
CID 106240983
4-[2-(2-amino-2-oxoethoxy)ethylsulfamoyl]-3-bromobenzoic acid
CID 104655952
2-[2-[[4-(methylamino)phenyl]sulfonylamino]ethoxy]acetamide
CID 106240991
2-(aminomethyl)-N-[3-(diethylamino)propyl]benzenesulfonamide
CID 16788421
2-[2-[(3-amino-4-ethylphenyl)sulfonylamino]ethoxy]acetamide
CID 106233792

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(aminomethyl)phenyl]sulfonylamino]ethoxy]acetamide?
The IUPAC name of 2-[2-[[2-(aminomethyl)phenyl]sulfonylamino]ethoxy]acetamide (CID 106235304) is 2-[2-[[2-(aminomethyl)phenyl]sulfonylamino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[[2-(aminomethyl)phenyl]sulfonylamino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[[2-(aminomethyl)phenyl]sulfonylamino]ethoxy]acetamide is NCc1ccccc1S(=O)(=O)NCCOCC(N)=O.
What is the InChIKey of 2-[2-[[2-(aminomethyl)phenyl]sulfonylamino]ethoxy]acetamide?
The InChIKey is INWWRZCPESGTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c12-7-9-3-1-2-4-10(9)19(16,17)14-5-6-18-8-11(13)15/h1-4,14H,5-8,12H2,(H2,13,15).
What are the key properties of 2-[2-[[2-(aminomethyl)phenyl]sulfonylamino]ethoxy]acetamide?
2-[2-[[2-(aminomethyl)phenyl]sulfonylamino]ethoxy]acetamide has a molecular weight of 287.34 g/mol, XLogP of -1.07, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(aminomethyl)phenyl]sulfonylamino]ethoxy]acetamide is sourced from PubChem (CID 106235304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).