3-amino-2,5-diethyl-N-(2-methoxy-2-methylpropyl)benzenesulfonamide

C15H26N2O3S — CID 107406919

IUPAC3-amino-2,5-diethyl-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
SMILESCCc1cc(N)c(CC)c(S(=O)(=O)NCC(C)(C)OC)c1
InChIInChI=1S/C15H26N2O3S/c1-6-11-8-13(16)12(7-2)14(9-11)21(18,19)17-10-15(3,4)20-5/h8-9,17H,6-7,10,16H2,1-5H3
InChIKeyIENFKOXGONUSDY-UHFFFAOYSA-N
MW314.45 g/mol
LogP2.10
Rot. Bonds7

About 3-amino-2,5-diethyl-N-(2-methoxy-2-methylpropyl)benzenesulfonamide

3-amino-2,5-diethyl-N-(2-methoxy-2-methylpropyl)benzenesulfonamide (PubChem CID 107406919) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is 3-amino-2,5-diethyl-N-(2-methoxy-2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2,5-diethyl-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
PubChem CID107406919
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC Name3-amino-2,5-diethyl-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
SMILESCCc1cc(N)c(CC)c(S(=O)(=O)NCC(C)(C)OC)c1
InChIInChI=1S/C15H26N2O3S/c1-6-11-8-13(16)12(7-2)14(9-11)21(18,19)17-10-15(3,4)20-5/h8-9,17H,6-7,10,16H2,1-5H3
InChIKeyIENFKOXGONUSDY-UHFFFAOYSA-N
XLogP2.10
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 52.10
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

3-amino-N-(3,3-dimethylbutyl)-2,5-diethylbenzenesulfonamide
CID 107407026
3-amino-N-(cyclopentylmethyl)-2,5-diethylbenzenesulfonamide
CID 107405777
3-amino-N-(2-cyclopropylethyl)-2,5-diethylbenzenesulfonamide
CID 107406749
3-amino-N-(2-cyclobutylethyl)-2,5-diethylbenzenesulfonamide
CID 107406958
3-amino-2,5-diethyl-N-[(E)-pent-3-enyl]benzenesulfonamide
CID 107406932
2-[(3-amino-2,5-diethylphenyl)sulfonylamino]-N,N-dimethylacetamide
CID 107405776
3-amino-N-(2-methoxy-2-methylpropyl)-2,5-dimethylbenzenesulfonamide
CID 104758528
3-amino-2,5-diethyl-N-(3-hydroxy-2-methylbutan-2-yl)benzenesulfonamide
CID 107407022
3-amino-2,5-diethyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 107405715
3-amino-2,5-diethyl-N-(1-methylcyclobutyl)benzenesulfonamide
CID 107406972
5-amino-4-chloro-N-(2-methoxy-2-methylpropyl)-2-methylbenzenesulfonamide
CID 104758539
3-amino-2,5-diethyl-N-(2-prop-2-enylsulfanylethyl)benzenesulfonamide
CID 106425499

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,5-diethyl-N-(2-methoxy-2-methylpropyl)benzenesulfonamide?
The IUPAC name of 3-amino-2,5-diethyl-N-(2-methoxy-2-methylpropyl)benzenesulfonamide (CID 107406919) is 3-amino-2,5-diethyl-N-(2-methoxy-2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-2,5-diethyl-N-(2-methoxy-2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 3-amino-2,5-diethyl-N-(2-methoxy-2-methylpropyl)benzenesulfonamide is CCc1cc(N)c(CC)c(S(=O)(=O)NCC(C)(C)OC)c1.
What is the InChIKey of 3-amino-2,5-diethyl-N-(2-methoxy-2-methylpropyl)benzenesulfonamide?
The InChIKey is IENFKOXGONUSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-6-11-8-13(16)12(7-2)14(9-11)21(18,19)17-10-15(3,4)20-5/h8-9,17H,6-7,10,16H2,1-5H3.
What are the key properties of 3-amino-2,5-diethyl-N-(2-methoxy-2-methylpropyl)benzenesulfonamide?
3-amino-2,5-diethyl-N-(2-methoxy-2-methylpropyl)benzenesulfonamide has a molecular weight of 314.45 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,5-diethyl-N-(2-methoxy-2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 107406919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).