N-[1-(3,5-dimethylphenyl)ethyl]-1-methylimidazole-4-sulfonamide

C14H19N3O2S — CID 138041253

IUPACN-[1-(3,5-dimethylphenyl)ethyl]-1-methylimidazole-4-sulfonamide
SMILESCc1cc(C)cc(C(C)NS(=O)(=O)c2cn(C)cn2)c1
InChIInChI=1S/C14H19N3O2S/c1-10-5-11(2)7-13(6-10)12(3)16-20(18,19)14-8-17(4)9-15-14/h5-9,12,16H,1-4H3
InChIKeyMNDMFVCEELCGEW-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.08
Rot. Bonds4

About N-[1-(3,5-dimethylphenyl)ethyl]-1-methylimidazole-4-sulfonamide

N-[1-(3,5-dimethylphenyl)ethyl]-1-methylimidazole-4-sulfonamide (PubChem CID 138041253) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-[1-(3,5-dimethylphenyl)ethyl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethylphenyl)ethyl]-1-methylimidazole-4-sulfonamide
PubChem CID138041253
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN-[1-(3,5-dimethylphenyl)ethyl]-1-methylimidazole-4-sulfonamide
SMILESCc1cc(C)cc(C(C)NS(=O)(=O)c2cn(C)cn2)c1
InChIInChI=1S/C14H19N3O2S/c1-10-5-11(2)7-13(6-10)12(3)16-20(18,19)14-8-17(4)9-15-14/h5-9,12,16H,1-4H3
InChIKeyMNDMFVCEELCGEW-UHFFFAOYSA-N
XLogP2.08
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(3,5-dimethylphenyl)ethyl]-1-methylimidazole-4-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

(2S)-2-[(1-methylimidazol-4-yl)sulfonylamino]propanoic acid
CID 78989396
N-[1-(2-aminophenyl)ethyl]-1-methylimidazole-4-sulfonamide
CID 55068231
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-methylimidazole-4-sulfonamide
CID 79256266
1-methyl-N-pent-4-yn-2-ylimidazole-4-sulfonamide
CID 115662679
1-methyl-N-[1-(5-sulfamoylthiophen-2-yl)ethyl]imidazole-4-sulfonamide
CID 62373470
1-methyl-N-[2-(propan-2-ylamino)ethyl]imidazole-4-sulfonamide
CID 62664968
1-methyl-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]imidazole-4-sulfonamide
CID 125447722
cyclopropane;ethane;1-methyl-N-(4-propan-2-ylphenyl)imidazole-4-sulfonamide
CID 153363584
1-methyl-N-(1-piperidin-4-ylethyl)imidazole-4-sulfonamide
CID 62373780
N-(2-amino-1-phenylethyl)-1-methylimidazole-4-sulfonamide
CID 62374094
2-[(1-methylimidazol-4-yl)sulfonylamino]butanoic acid
CID 62374949
3,5-dimethyl-2-[(1-methylimidazol-4-yl)sulfonylamino]benzoic acid
CID 62780873

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethylphenyl)ethyl]-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-[1-(3,5-dimethylphenyl)ethyl]-1-methylimidazole-4-sulfonamide (CID 138041253) is N-[1-(3,5-dimethylphenyl)ethyl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-[1-(3,5-dimethylphenyl)ethyl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-[1-(3,5-dimethylphenyl)ethyl]-1-methylimidazole-4-sulfonamide is Cc1cc(C)cc(C(C)NS(=O)(=O)c2cn(C)cn2)c1.
What is the InChIKey of N-[1-(3,5-dimethylphenyl)ethyl]-1-methylimidazole-4-sulfonamide?
The InChIKey is MNDMFVCEELCGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-10-5-11(2)7-13(6-10)12(3)16-20(18,19)14-8-17(4)9-15-14/h5-9,12,16H,1-4H3.
What are the key properties of N-[1-(3,5-dimethylphenyl)ethyl]-1-methylimidazole-4-sulfonamide?
N-[1-(3,5-dimethylphenyl)ethyl]-1-methylimidazole-4-sulfonamide has a molecular weight of 293.39 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethylphenyl)ethyl]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 138041253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).