N-(4-tert-butylphenyl)-3-(ethylamino)propane-1-sulfonamide

C15H26N2O2S — CID 106057303

IUPACN-(4-tert-butylphenyl)-3-(ethylamino)propane-1-sulfonamide
SMILESCCNCCCS(=O)(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H26N2O2S/c1-5-16-11-6-12-20(18,19)17-14-9-7-13(8-10-14)15(2,3)4/h7-10,16-17H,5-6,11-12H2,1-4H3
InChIKeySZLNGJHUSNFRIW-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.73
Rot. Bonds7

About N-(4-tert-butylphenyl)-3-(ethylamino)propane-1-sulfonamide

N-(4-tert-butylphenyl)-3-(ethylamino)propane-1-sulfonamide (PubChem CID 106057303) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-3-(ethylamino)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-3-(ethylamino)propane-1-sulfonamide
PubChem CID106057303
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC NameN-(4-tert-butylphenyl)-3-(ethylamino)propane-1-sulfonamide
SMILESCCNCCCS(=O)(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H26N2O2S/c1-5-16-11-6-12-20(18,19)17-14-9-7-13(8-10-14)15(2,3)4/h7-10,16-17H,5-6,11-12H2,1-4H3
InChIKeySZLNGJHUSNFRIW-UHFFFAOYSA-N
XLogP2.73
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-tert-butylphenyl)-3-(ethylamino)propane-1-sulfonamide 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

3-(ethylamino)-N-(3-iodo-4-methylphenyl)propane-1-sulfonamide
CID 114258136
N-[4-(4-tert-butylanilino)phenyl]ethanesulfonamide
CID 112986729
N-(4-tert-butylphenyl)-4-(propylsulfonylamino)benzamide
CID 142682977
N-(4-bromo-3-fluorophenyl)-3-(ethylamino)propane-1-sulfonamide
CID 106067092
N-[4-(tert-butylamino)phenyl]propane-1-sulfonamide
CID 112984927
N-(4-chloro-3-methoxyphenyl)-3-(ethylamino)propane-1-sulfonamide
CID 106087751
N-(2,6-dibromophenyl)-3-(ethylamino)propane-1-sulfonamide
CID 114142503
N-(4-bromo-3-fluorophenyl)-4-(ethylamino)butane-1-sulfonamide
CID 106067072
3-(ethylamino)-N-(5-methyl-3-pyridinyl)propane-1-sulfonamide
CID 106088035
3-(ethylamino)-N-(6-methyl-2-pyridinyl)propane-1-sulfonamide
CID 106086909
N-(3,4-dimethylphenyl)-2-(ethylamino)ethanesulfonamide
CID 54973592
N-(4-ethylphenyl)-4-(propylamino)butane-1-sulfonamide
CID 107236784

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-3-(ethylamino)propane-1-sulfonamide?
The IUPAC name of N-(4-tert-butylphenyl)-3-(ethylamino)propane-1-sulfonamide (CID 106057303) is N-(4-tert-butylphenyl)-3-(ethylamino)propane-1-sulfonamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-3-(ethylamino)propane-1-sulfonamide?
The canonical SMILES for N-(4-tert-butylphenyl)-3-(ethylamino)propane-1-sulfonamide is CCNCCCS(=O)(=O)Nc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-3-(ethylamino)propane-1-sulfonamide?
The InChIKey is SZLNGJHUSNFRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-5-16-11-6-12-20(18,19)17-14-9-7-13(8-10-14)15(2,3)4/h7-10,16-17H,5-6,11-12H2,1-4H3.
What are the key properties of N-(4-tert-butylphenyl)-3-(ethylamino)propane-1-sulfonamide?
N-(4-tert-butylphenyl)-3-(ethylamino)propane-1-sulfonamide has a molecular weight of 298.45 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-3-(ethylamino)propane-1-sulfonamide is sourced from PubChem (CID 106057303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).