2-(4-amino-3-ethoxyanilino)-N-ethylethanesulfonamide

C12H21N3O3S — CID 106334327

IUPAC2-(4-amino-3-ethoxyanilino)-N-ethylethanesulfonamide
SMILESCCNS(=O)(=O)CCNc1ccc(N)c(OCC)c1
InChIInChI=1S/C12H21N3O3S/c1-3-15-19(16,17)8-7-14-10-5-6-11(13)12(9-10)18-4-2/h5-6,9,14-15H,3-4,7-8,13H2,1-2H3
InChIKeyGEBVQKNHGCPVFR-UHFFFAOYSA-N
MW287.39 g/mol
LogP1.02
Rot. Bonds8

About 2-(4-amino-3-ethoxyanilino)-N-ethylethanesulfonamide

2-(4-amino-3-ethoxyanilino)-N-ethylethanesulfonamide (PubChem CID 106334327) has the molecular formula C12H21N3O3S and a molecular weight of 287.39 g/mol. Its IUPAC name is 2-(4-amino-3-ethoxyanilino)-N-ethylethanesulfonamide.

Molecular Properties

Compound Name2-(4-amino-3-ethoxyanilino)-N-ethylethanesulfonamide
PubChem CID106334327
Molecular FormulaC12H21N3O3S
Molecular Weight287.39 g/mol
Exact Mass287.13
IUPAC Name2-(4-amino-3-ethoxyanilino)-N-ethylethanesulfonamide
SMILESCCNS(=O)(=O)CCNc1ccc(N)c(OCC)c1
InChIInChI=1S/C12H21N3O3S/c1-3-15-19(16,17)8-7-14-10-5-6-11(13)12(9-10)18-4-2/h5-6,9,14-15H,3-4,7-8,13H2,1-2H3
InChIKeyGEBVQKNHGCPVFR-UHFFFAOYSA-N
XLogP1.02
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-4-N-(2-methylsulfonylethyl)benzene-1,4-diamine
CID 63671672
4-N-(2,2-dimethylpropyl)-2-ethoxybenzene-1,4-diamine
CID 63670004
2-(3-amino-5-fluoroanilino)-N-ethylethanesulfonamide
CID 114174884
ethyl 2-(4-amino-3-ethoxyanilino)acetate
CID 63670664
3,4-diethoxy-N-(3-methylsulfonylpropyl)aniline
CID 63191159
4-N-(2-cyclobutylethyl)-2-ethoxybenzene-1,4-diamine
CID 113478541
2-ethoxy-4-N-(3-phenoxypropyl)benzene-1,4-diamine
CID 63676287
N-[3-(4-amino-3-propoxyanilino)propyl]methanesulfonamide
CID 106333876
2-ethoxy-4-N-[2-(2-methylprop-2-enoxy)ethyl]benzene-1,4-diamine
CID 114465365
N-ethyl-2-(4-methylsulfonylanilino)ethanesulfonamide
CID 106338116
N-ethyl-2-[4-(trifluoromethyl)anilino]ethanesulfonamide
CID 106338529
2-[(5-amino-6-methoxy-2-pyridinyl)amino]-N-ethylethanesulfonamide
CID 106334265

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-ethoxyanilino)-N-ethylethanesulfonamide?
The IUPAC name of 2-(4-amino-3-ethoxyanilino)-N-ethylethanesulfonamide (CID 106334327) is 2-(4-amino-3-ethoxyanilino)-N-ethylethanesulfonamide.
What is the SMILES notation for 2-(4-amino-3-ethoxyanilino)-N-ethylethanesulfonamide?
The canonical SMILES for 2-(4-amino-3-ethoxyanilino)-N-ethylethanesulfonamide is CCNS(=O)(=O)CCNc1ccc(N)c(OCC)c1.
What is the InChIKey of 2-(4-amino-3-ethoxyanilino)-N-ethylethanesulfonamide?
The InChIKey is GEBVQKNHGCPVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-3-15-19(16,17)8-7-14-10-5-6-11(13)12(9-10)18-4-2/h5-6,9,14-15H,3-4,7-8,13H2,1-2H3.
What are the key properties of 2-(4-amino-3-ethoxyanilino)-N-ethylethanesulfonamide?
2-(4-amino-3-ethoxyanilino)-N-ethylethanesulfonamide has a molecular weight of 287.39 g/mol, XLogP of 1.02, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-ethoxyanilino)-N-ethylethanesulfonamide is sourced from PubChem (CID 106334327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).