2-[(5-amino-2-ethylphenyl)sulfonyl-ethylamino]-N-ethylacetamide

C14H23N3O3S — CID 61114283

IUPAC2-[(5-amino-2-ethylphenyl)sulfonyl-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)S(=O)(=O)c1cc(N)ccc1CC
InChIInChI=1S/C14H23N3O3S/c1-4-11-7-8-12(15)9-13(11)21(19,20)17(6-3)10-14(18)16-5-2/h7-9H,4-6,10,15H2,1-3H3,(H,16,18)
InChIKeyHRHWQQXWZYJKSW-UHFFFAOYSA-N
MW313.42 g/mol
LogP0.98
Rot. Bonds7

About 2-[(5-amino-2-ethylphenyl)sulfonyl-ethylamino]-N-ethylacetamide

2-[(5-amino-2-ethylphenyl)sulfonyl-ethylamino]-N-ethylacetamide (PubChem CID 61114283) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-[(5-amino-2-ethylphenyl)sulfonyl-ethylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(5-amino-2-ethylphenyl)sulfonyl-ethylamino]-N-ethylacetamide
PubChem CID61114283
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name2-[(5-amino-2-ethylphenyl)sulfonyl-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)S(=O)(=O)c1cc(N)ccc1CC
InChIInChI=1S/C14H23N3O3S/c1-4-11-7-8-12(15)9-13(11)21(19,20)17(6-3)10-14(18)16-5-2/h7-9H,4-6,10,15H2,1-3H3,(H,16,18)
InChIKeyHRHWQQXWZYJKSW-UHFFFAOYSA-N
XLogP0.98
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 50.98
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

5-amino-N,N,2-triethylbenzenesulfonamide
CID 43255626
2-[(3-aminophenyl)sulfonyl-ethylamino]-N-ethylacetamide
CID 61114463
2-[(2-aminophenyl)sulfonyl-ethylamino]-N-ethylacetamide
CID 61114465
5-amino-2-ethyl-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 43587392
N-ethyl-2-[ethyl-(5-fluoro-2-methylphenyl)sulfonylamino]acetamide
CID 39633113
2-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-ethylamino]-N-ethylacetamide
CID 61114473
5-amino-2-ethyl-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 113498553
2-[(5-amino-2-fluorophenyl)sulfonyl-ethylamino]acetamide
CID 103101009
2-[(3-amino-4,5-dimethylphenyl)sulfonyl-ethylamino]-N-ethylacetamide
CID 61114656
2-[(4-amino-2-chlorophenyl)sulfonyl-ethylamino]-N-propan-2-ylacetamide
CID 61127317
5-amino-2-ethyl-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
CID 62333305
2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-ethylacetamide
CID 4593539

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2-ethylphenyl)sulfonyl-ethylamino]-N-ethylacetamide?
The IUPAC name of 2-[(5-amino-2-ethylphenyl)sulfonyl-ethylamino]-N-ethylacetamide (CID 61114283) is 2-[(5-amino-2-ethylphenyl)sulfonyl-ethylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(5-amino-2-ethylphenyl)sulfonyl-ethylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(5-amino-2-ethylphenyl)sulfonyl-ethylamino]-N-ethylacetamide is CCNC(=O)CN(CC)S(=O)(=O)c1cc(N)ccc1CC.
What is the InChIKey of 2-[(5-amino-2-ethylphenyl)sulfonyl-ethylamino]-N-ethylacetamide?
The InChIKey is HRHWQQXWZYJKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-4-11-7-8-12(15)9-13(11)21(19,20)17(6-3)10-14(18)16-5-2/h7-9H,4-6,10,15H2,1-3H3,(H,16,18).
What are the key properties of 2-[(5-amino-2-ethylphenyl)sulfonyl-ethylamino]-N-ethylacetamide?
2-[(5-amino-2-ethylphenyl)sulfonyl-ethylamino]-N-ethylacetamide has a molecular weight of 313.42 g/mol, XLogP of 0.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-2-ethylphenyl)sulfonyl-ethylamino]-N-ethylacetamide is sourced from PubChem (CID 61114283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).