N-(2-tert-butylsulfanylethyl)-4-ethoxybenzenesulfonamide

C14H23NO3S2 — CID 2197976

IUPACN-(2-tert-butylsulfanylethyl)-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCSC(C)(C)C)cc1
InChIInChI=1S/C14H23NO3S2/c1-5-18-12-6-8-13(9-7-12)20(16,17)15-10-11-19-14(2,3)4/h6-9,15H,5,10-11H2,1-4H3
InChIKeyUBPQZSCXJUCHIS-UHFFFAOYSA-N
MW317.48 g/mol
LogP2.90
Rot. Bonds7

About N-(2-tert-butylsulfanylethyl)-4-ethoxybenzenesulfonamide

N-(2-tert-butylsulfanylethyl)-4-ethoxybenzenesulfonamide (PubChem CID 2197976) has the molecular formula C14H23NO3S2 and a molecular weight of 317.48 g/mol. Its IUPAC name is N-(2-tert-butylsulfanylethyl)-4-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-tert-butylsulfanylethyl)-4-ethoxybenzenesulfonamide
PubChem CID2197976
Molecular FormulaC14H23NO3S2
Molecular Weight317.48 g/mol
Exact Mass317.11
IUPAC NameN-(2-tert-butylsulfanylethyl)-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCSC(C)(C)C)cc1
InChIInChI=1S/C14H23NO3S2/c1-5-18-12-6-8-13(9-7-12)20(16,17)15-10-11-19-14(2,3)4/h6-9,15H,5,10-11H2,1-4H3
InChIKeyUBPQZSCXJUCHIS-UHFFFAOYSA-N
XLogP2.90
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-tert-butylsulfanylethyl)-4-ethoxybenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethoxy-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62657994
N-(2-tert-butylsulfanylethyl)-4-cyanobenzenesulfonamide
CID 2805758
N-(2-tert-butylsulfanylethyl)-4-methylsulfanylbenzenesulfonamide
CID 2231398
4-ethoxy-N-(3-hydroxypropyl)benzenesulfonamide
CID 6460242
N-[2-(dimethylamino)ethyl]-4-ethoxybenzenesulfonamide
CID 7528966
N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-4-ethoxybenzenesulfonamide
CID 113068111
N-[2-(4-ethoxyphenoxy)ethyl]-4-methoxybenzenesulfonamide
CID 40753909
N-[3-(dimethylamino)propyl]-4-ethoxybenzenesulfonamide
CID 4790143
N-[2-(4-ethoxyphenoxy)ethyl]-4-fluorobenzenesulfonamide
CID 40753911
4-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 2442104
4-ethoxy-N-[2-(4-fluorophenyl)sulfonylethyl]benzenesulfonamide
CID 54774369
N-(3,3-diphenylpropyl)-4-ethoxybenzenesulfonamide
CID 7938232

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylsulfanylethyl)-4-ethoxybenzenesulfonamide?
The IUPAC name of N-(2-tert-butylsulfanylethyl)-4-ethoxybenzenesulfonamide (CID 2197976) is N-(2-tert-butylsulfanylethyl)-4-ethoxybenzenesulfonamide.
What is the SMILES notation for N-(2-tert-butylsulfanylethyl)-4-ethoxybenzenesulfonamide?
The canonical SMILES for N-(2-tert-butylsulfanylethyl)-4-ethoxybenzenesulfonamide is CCOc1ccc(S(=O)(=O)NCCSC(C)(C)C)cc1.
What is the InChIKey of N-(2-tert-butylsulfanylethyl)-4-ethoxybenzenesulfonamide?
The InChIKey is UBPQZSCXJUCHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S2/c1-5-18-12-6-8-13(9-7-12)20(16,17)15-10-11-19-14(2,3)4/h6-9,15H,5,10-11H2,1-4H3.
What are the key properties of N-(2-tert-butylsulfanylethyl)-4-ethoxybenzenesulfonamide?
N-(2-tert-butylsulfanylethyl)-4-ethoxybenzenesulfonamide has a molecular weight of 317.48 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylsulfanylethyl)-4-ethoxybenzenesulfonamide is sourced from PubChem (CID 2197976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).