2-ethyl-N-(3-ethylpentan-3-yl)-1H-imidazole-5-sulfonamide

C12H23N3O2S — CID 65042707

IUPAC2-ethyl-N-(3-ethylpentan-3-yl)-1H-imidazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)NC(CC)(CC)CC)[nH]1
InChIInChI=1S/C12H23N3O2S/c1-5-10-13-9-11(14-10)18(16,17)15-12(6-2,7-3)8-4/h9,15H,5-8H2,1-4H3,(H,13,14)
InChIKeyGIFMTLPLUBVPSI-UHFFFAOYSA-N
MW273.40 g/mol
LogP2.22
Rot. Bonds7

About 2-ethyl-N-(3-ethylpentan-3-yl)-1H-imidazole-5-sulfonamide

2-ethyl-N-(3-ethylpentan-3-yl)-1H-imidazole-5-sulfonamide (PubChem CID 65042707) has the molecular formula C12H23N3O2S and a molecular weight of 273.40 g/mol. Its IUPAC name is 2-ethyl-N-(3-ethylpentan-3-yl)-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound Name2-ethyl-N-(3-ethylpentan-3-yl)-1H-imidazole-5-sulfonamide
PubChem CID65042707
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC Name2-ethyl-N-(3-ethylpentan-3-yl)-1H-imidazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)NC(CC)(CC)CC)[nH]1
InChIInChI=1S/C12H23N3O2S/c1-5-10-13-9-11(14-10)18(16,17)15-12(6-2,7-3)8-4/h9,15H,5-8H2,1-4H3,(H,13,14)
InChIKeyGIFMTLPLUBVPSI-UHFFFAOYSA-N
XLogP2.22
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-N-(3-ethylpentan-3-yl)-1H-imidazole-5-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

N-(2-amino-2-methylpropyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 115303585
N-[3-(chloromethyl)pentan-3-yl]-2-methyl-1H-imidazole-5-sulfonamide
CID 65032781
2-ethyl-N-(2-ethylsulfonylethyl)-1H-imidazole-5-sulfonamide
CID 114111971
N-(2-bromoethyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 114298250
2-ethyl-N-[(2-ethylphenyl)methyl]-1H-imidazole-5-sulfonamide
CID 64693083
N-(2-bromo-3-ethylpentyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 106288635
N-(3-chloro-2-methylpropyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 65036950
2-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-imidazole-5-sulfonamide
CID 79246204
3-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-N,2,2-trimethylpropanamide
CID 106279668
N-[[4-(chloromethyl)phenyl]methyl]-2-ethyl-1H-imidazole-5-sulfonamide
CID 107234053
(2R)-2-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-3-hydroxypropanoic acid
CID 80749768
N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 114388857

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(3-ethylpentan-3-yl)-1H-imidazole-5-sulfonamide?
The IUPAC name of 2-ethyl-N-(3-ethylpentan-3-yl)-1H-imidazole-5-sulfonamide (CID 65042707) is 2-ethyl-N-(3-ethylpentan-3-yl)-1H-imidazole-5-sulfonamide.
What is the SMILES notation for 2-ethyl-N-(3-ethylpentan-3-yl)-1H-imidazole-5-sulfonamide?
The canonical SMILES for 2-ethyl-N-(3-ethylpentan-3-yl)-1H-imidazole-5-sulfonamide is CCc1ncc(S(=O)(=O)NC(CC)(CC)CC)[nH]1.
What is the InChIKey of 2-ethyl-N-(3-ethylpentan-3-yl)-1H-imidazole-5-sulfonamide?
The InChIKey is GIFMTLPLUBVPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S/c1-5-10-13-9-11(14-10)18(16,17)15-12(6-2,7-3)8-4/h9,15H,5-8H2,1-4H3,(H,13,14).
What are the key properties of 2-ethyl-N-(3-ethylpentan-3-yl)-1H-imidazole-5-sulfonamide?
2-ethyl-N-(3-ethylpentan-3-yl)-1H-imidazole-5-sulfonamide has a molecular weight of 273.40 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(3-ethylpentan-3-yl)-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 65042707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).