2-[(3-aminophenyl)sulfonyl-ethylamino]-N-ethylacetamide

C12H19N3O3S — CID 61114463

IUPAC2-[(3-aminophenyl)sulfonyl-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)S(=O)(=O)c1cccc(N)c1
InChIInChI=1S/C12H19N3O3S/c1-3-14-12(16)9-15(4-2)19(17,18)11-7-5-6-10(13)8-11/h5-8H,3-4,9,13H2,1-2H3,(H,14,16)
InChIKeyUJFGOOHQHHJERI-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.42
Rot. Bonds6

About 2-[(3-aminophenyl)sulfonyl-ethylamino]-N-ethylacetamide

2-[(3-aminophenyl)sulfonyl-ethylamino]-N-ethylacetamide (PubChem CID 61114463) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-[(3-aminophenyl)sulfonyl-ethylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(3-aminophenyl)sulfonyl-ethylamino]-N-ethylacetamide
PubChem CID61114463
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name2-[(3-aminophenyl)sulfonyl-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)S(=O)(=O)c1cccc(N)c1
InChIInChI=1S/C12H19N3O3S/c1-3-14-12(16)9-15(4-2)19(17,18)11-7-5-6-10(13)8-11/h5-8H,3-4,9,13H2,1-2H3,(H,14,16)
InChIKeyUJFGOOHQHHJERI-UHFFFAOYSA-N
XLogP0.42
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-amino-2-ethylphenyl)sulfonyl-ethylamino]-N-ethylacetamide
CID 61114283
2-[(2-aminophenyl)sulfonyl-ethylamino]-N-ethylacetamide
CID 61114465
2-[(3-amino-4,5-dimethylphenyl)sulfonyl-ethylamino]-N-ethylacetamide
CID 61114656
2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-ethylacetamide
CID 4593539
2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(ethyl)amino]-N-ethylacetamide
CID 24678373
ethyl 4-[ethyl-[2-(ethylamino)-2-oxoethyl]sulfamoyl]benzoate
CID 24678382
2-[ethyl-[3-(methylsulfamoyl)phenyl]sulfonylamino]-N-methylacetamide
CID 49240452
2-[(3-aminophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 43374811
3-amino-N-ethyl-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 43587315
4-[ethyl-[2-(ethylamino)-2-oxoethyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 60732233
2-[(5,6-dichloro-3-pyridinyl)sulfonyl-ethylamino]-N-ethylacetamide
CID 64609125
3-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]benzamide;hydrochloride
CID 119691040

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminophenyl)sulfonyl-ethylamino]-N-ethylacetamide?
The IUPAC name of 2-[(3-aminophenyl)sulfonyl-ethylamino]-N-ethylacetamide (CID 61114463) is 2-[(3-aminophenyl)sulfonyl-ethylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(3-aminophenyl)sulfonyl-ethylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(3-aminophenyl)sulfonyl-ethylamino]-N-ethylacetamide is CCNC(=O)CN(CC)S(=O)(=O)c1cccc(N)c1.
What is the InChIKey of 2-[(3-aminophenyl)sulfonyl-ethylamino]-N-ethylacetamide?
The InChIKey is UJFGOOHQHHJERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-3-14-12(16)9-15(4-2)19(17,18)11-7-5-6-10(13)8-11/h5-8H,3-4,9,13H2,1-2H3,(H,14,16).
What are the key properties of 2-[(3-aminophenyl)sulfonyl-ethylamino]-N-ethylacetamide?
2-[(3-aminophenyl)sulfonyl-ethylamino]-N-ethylacetamide has a molecular weight of 285.37 g/mol, XLogP of 0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminophenyl)sulfonyl-ethylamino]-N-ethylacetamide is sourced from PubChem (CID 61114463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).