2-[2-[(4-amino-2-methylphenyl)sulfonylamino]ethoxy]acetamide

C11H17N3O4S — CID 106233837

IUPAC2-[2-[(4-amino-2-methylphenyl)sulfonylamino]ethoxy]acetamide
SMILESCc1cc(N)ccc1S(=O)(=O)NCCOCC(N)=O
InChIInChI=1S/C11H17N3O4S/c1-8-6-9(12)2-3-10(8)19(16,17)14-4-5-18-7-11(13)15/h2-3,6,14H,4-5,7,12H2,1H3,(H2,13,15)
InChIKeySWKPLJGYAVWUOI-UHFFFAOYSA-N
MW287.34 g/mol
LogP-0.64
Rot. Bonds7

About 2-[2-[(4-amino-2-methylphenyl)sulfonylamino]ethoxy]acetamide

2-[2-[(4-amino-2-methylphenyl)sulfonylamino]ethoxy]acetamide (PubChem CID 106233837) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-[2-[(4-amino-2-methylphenyl)sulfonylamino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[(4-amino-2-methylphenyl)sulfonylamino]ethoxy]acetamide
PubChem CID106233837
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Name2-[2-[(4-amino-2-methylphenyl)sulfonylamino]ethoxy]acetamide
SMILESCc1cc(N)ccc1S(=O)(=O)NCCOCC(N)=O
InChIInChI=1S/C11H17N3O4S/c1-8-6-9(12)2-3-10(8)19(16,17)14-4-5-18-7-11(13)15/h2-3,6,14H,4-5,7,12H2,1H3,(H2,13,15)
InChIKeySWKPLJGYAVWUOI-UHFFFAOYSA-N
XLogP-0.64
TPSA124.51 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 ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(2-amino-4,5-dimethylphenyl)sulfonylamino]ethoxy]acetamide
CID 106233857
2-[2-[(2-amino-5-bromophenyl)sulfonylamino]ethoxy]acetamide
CID 106233732
methyl 2-[(4-amino-2-methylphenyl)sulfonylamino]acetate
CID 43257168
4-[2-(2-amino-2-oxoethoxy)ethylsulfamoyl]-3-bromobenzoic acid
CID 104655952
5-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2-methylbenzamide
CID 106233435
5-amino-2-fluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide
CID 114464982
4-(2-ethoxyethylsulfamoyl)-3-methylbenzenecarbothioamide
CID 106997779
2-[2-[(3-amino-4-ethylphenyl)sulfonylamino]ethoxy]acetamide
CID 106233792
4-amino-2-[2-(2-methylprop-2-enoxy)ethylsulfamoyl]benzoic acid
CID 102931784
4-[(5-amino-2-methylphenyl)sulfonylamino]butanamide
CID 60864084
4-amino-2-methyl-N-(2-methylsulfinylethyl)benzenesulfonamide
CID 113479654
2-[2-[[2-(aminomethyl)phenyl]sulfonylamino]ethoxy]acetamide
CID 106235304

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-amino-2-methylphenyl)sulfonylamino]ethoxy]acetamide?
The IUPAC name of 2-[2-[(4-amino-2-methylphenyl)sulfonylamino]ethoxy]acetamide (CID 106233837) is 2-[2-[(4-amino-2-methylphenyl)sulfonylamino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[(4-amino-2-methylphenyl)sulfonylamino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[(4-amino-2-methylphenyl)sulfonylamino]ethoxy]acetamide is Cc1cc(N)ccc1S(=O)(=O)NCCOCC(N)=O.
What is the InChIKey of 2-[2-[(4-amino-2-methylphenyl)sulfonylamino]ethoxy]acetamide?
The InChIKey is SWKPLJGYAVWUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-8-6-9(12)2-3-10(8)19(16,17)14-4-5-18-7-11(13)15/h2-3,6,14H,4-5,7,12H2,1H3,(H2,13,15).
What are the key properties of 2-[2-[(4-amino-2-methylphenyl)sulfonylamino]ethoxy]acetamide?
2-[2-[(4-amino-2-methylphenyl)sulfonylamino]ethoxy]acetamide has a molecular weight of 287.34 g/mol, XLogP of -0.64, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-amino-2-methylphenyl)sulfonylamino]ethoxy]acetamide is sourced from PubChem (CID 106233837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).