2-[2-[(3-amino-4-ethylphenyl)sulfonylamino]ethoxy]acetamide

C12H19N3O4S — CID 106233792

IUPAC2-[2-[(3-amino-4-ethylphenyl)sulfonylamino]ethoxy]acetamide
SMILESCCc1ccc(S(=O)(=O)NCCOCC(N)=O)cc1N
InChIInChI=1S/C12H19N3O4S/c1-2-9-3-4-10(7-11(9)13)20(17,18)15-5-6-19-8-12(14)16/h3-4,7,15H,2,5-6,8,13H2,1H3,(H2,14,16)
InChIKeyKMEOKFXGVPAKCK-UHFFFAOYSA-N
MW301.37 g/mol
LogP-0.39
Rot. Bonds8

About 2-[2-[(3-amino-4-ethylphenyl)sulfonylamino]ethoxy]acetamide

2-[2-[(3-amino-4-ethylphenyl)sulfonylamino]ethoxy]acetamide (PubChem CID 106233792) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-[2-[(3-amino-4-ethylphenyl)sulfonylamino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[(3-amino-4-ethylphenyl)sulfonylamino]ethoxy]acetamide
PubChem CID106233792
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC Name2-[2-[(3-amino-4-ethylphenyl)sulfonylamino]ethoxy]acetamide
SMILESCCc1ccc(S(=O)(=O)NCCOCC(N)=O)cc1N
InChIInChI=1S/C12H19N3O4S/c1-2-9-3-4-10(7-11(9)13)20(17,18)15-5-6-19-8-12(14)16/h3-4,7,15H,2,5-6,8,13H2,1H3,(H2,14,16)
InChIKeyKMEOKFXGVPAKCK-UHFFFAOYSA-N
XLogP-0.39
TPSA124.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 5-0.39
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-[(3-amino-4-ethylphenyl)sulfonylamino]acetamide
CID 43257083
2-[2-[[4-(propylamino)phenyl]sulfonylamino]ethoxy]acetamide
CID 106240983
2-[2-[[4-(methylamino)phenyl]sulfonylamino]ethoxy]acetamide
CID 106240991
2-[2-(benzenesulfonamido)ethoxy]acetamide
CID 103766575
3-amino-4-ethyl-N-(3-methoxypropyl)benzenesulfonamide
CID 43258870
N-[2-[(3-amino-4-ethylphenyl)sulfonylamino]ethyl]acetamide
CID 43552681
2-[2-[(2-amino-4,5-dimethylphenyl)sulfonylamino]ethoxy]acetamide
CID 106233857
2-[2-[(3-carbamothioylphenyl)sulfonylamino]ethoxy]acetamide
CID 106237183
2-[2-[(2-aminopyrimidin-5-yl)sulfonylamino]ethoxy]acetamide
CID 106241017
2-[2-[(4-amino-2-methylphenyl)sulfonylamino]ethoxy]acetamide
CID 106233837
2-[2-[(2-amino-5-bromophenyl)sulfonylamino]ethoxy]acetamide
CID 106233732
3-amino-4-ethyl-N-(2-methylpropyl)benzenesulfonamide
CID 43256978

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-amino-4-ethylphenyl)sulfonylamino]ethoxy]acetamide?
The IUPAC name of 2-[2-[(3-amino-4-ethylphenyl)sulfonylamino]ethoxy]acetamide (CID 106233792) is 2-[2-[(3-amino-4-ethylphenyl)sulfonylamino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[(3-amino-4-ethylphenyl)sulfonylamino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[(3-amino-4-ethylphenyl)sulfonylamino]ethoxy]acetamide is CCc1ccc(S(=O)(=O)NCCOCC(N)=O)cc1N.
What is the InChIKey of 2-[2-[(3-amino-4-ethylphenyl)sulfonylamino]ethoxy]acetamide?
The InChIKey is KMEOKFXGVPAKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-2-9-3-4-10(7-11(9)13)20(17,18)15-5-6-19-8-12(14)16/h3-4,7,15H,2,5-6,8,13H2,1H3,(H2,14,16).
What are the key properties of 2-[2-[(3-amino-4-ethylphenyl)sulfonylamino]ethoxy]acetamide?
2-[2-[(3-amino-4-ethylphenyl)sulfonylamino]ethoxy]acetamide has a molecular weight of 301.37 g/mol, XLogP of -0.39, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-amino-4-ethylphenyl)sulfonylamino]ethoxy]acetamide is sourced from PubChem (CID 106233792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).