4-[(2-methyl-1H-imidazol-5-yl)methyl]-N-(2-methyl-4-oxopentan-3-yl)benzenesulfonamide

C17H23N3O3S — CID 54121501

IUPAC4-[(2-methyl-1H-imidazol-5-yl)methyl]-N-(2-methyl-4-oxopentan-3-yl)benzenesulfonamide
SMILESCC(=O)C(NS(=O)(=O)c1ccc(Cc2cnc(C)[nH]2)cc1)C(C)C
InChIInChI=1S/C17H23N3O3S/c1-11(2)17(12(3)21)20-24(22,23)16-7-5-14(6-8-16)9-15-10-18-13(4)19-15/h5-8,10-11,17,20H,9H2,1-4H3,(H,18,19)
InChIKeyNNZVEKIBHZNTKK-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.20
Rot. Bonds7

About 4-[(2-methyl-1H-imidazol-5-yl)methyl]-N-(2-methyl-4-oxopentan-3-yl)benzenesulfonamide

4-[(2-methyl-1H-imidazol-5-yl)methyl]-N-(2-methyl-4-oxopentan-3-yl)benzenesulfonamide (PubChem CID 54121501) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is 4-[(2-methyl-1H-imidazol-5-yl)methyl]-N-(2-methyl-4-oxopentan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(2-methyl-1H-imidazol-5-yl)methyl]-N-(2-methyl-4-oxopentan-3-yl)benzenesulfonamide
PubChem CID54121501
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name4-[(2-methyl-1H-imidazol-5-yl)methyl]-N-(2-methyl-4-oxopentan-3-yl)benzenesulfonamide
SMILESCC(=O)C(NS(=O)(=O)c1ccc(Cc2cnc(C)[nH]2)cc1)C(C)C
InChIInChI=1S/C17H23N3O3S/c1-11(2)17(12(3)21)20-24(22,23)16-7-5-14(6-8-16)9-15-10-18-13(4)19-15/h5-8,10-11,17,20H,9H2,1-4H3,(H,18,19)
InChIKeyNNZVEKIBHZNTKK-UHFFFAOYSA-N
XLogP2.20
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(2-methyl-1H-imidazol-5-yl)methyl]-N-(2-methyl-4-oxopentan-3-yl)benzenesulfonamide 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-methyl-2-[[4-(2-methylpropyl)phenyl]sulfonylamino]butanoic acid
CID 43169463
(2S)-N-[2-(4-methoxyphenyl)ethyl]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide
CID 24538272
2-[[4-[4-(aminomethyl)phenyl]phenyl]sulfonylamino]-3-methylbutanoic acid
CID 18914699
(2R)-2-[(4-acetylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 29050959
2-[[4-[4-(2-methoxyethyl)phenyl]phenyl]sulfonylamino]-3-methylbutanoic acid
CID 136551844
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-3-methylbutanoic acid
CID 773550
(4-chlorophenyl)methyl (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanoate
CID 7567916
(2S)-N-[6-(dimethylamino)-3-pyridinyl]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide
CID 30273537
4-(methylaminomethyl)-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 60823404
(2R)-3-methyl-N-[(4-methylphenyl)methyl]-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]butanamide
CID 92723757
(2R)-2-[(4-acetamidophenyl)sulfonylamino]-3-methylbutanoate
CID 7314858
(2R)-2-[(4-butan-2-ylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 79009568

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-1H-imidazol-5-yl)methyl]-N-(2-methyl-4-oxopentan-3-yl)benzenesulfonamide?
The IUPAC name of 4-[(2-methyl-1H-imidazol-5-yl)methyl]-N-(2-methyl-4-oxopentan-3-yl)benzenesulfonamide (CID 54121501) is 4-[(2-methyl-1H-imidazol-5-yl)methyl]-N-(2-methyl-4-oxopentan-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-[(2-methyl-1H-imidazol-5-yl)methyl]-N-(2-methyl-4-oxopentan-3-yl)benzenesulfonamide?
The canonical SMILES for 4-[(2-methyl-1H-imidazol-5-yl)methyl]-N-(2-methyl-4-oxopentan-3-yl)benzenesulfonamide is CC(=O)C(NS(=O)(=O)c1ccc(Cc2cnc(C)[nH]2)cc1)C(C)C.
What is the InChIKey of 4-[(2-methyl-1H-imidazol-5-yl)methyl]-N-(2-methyl-4-oxopentan-3-yl)benzenesulfonamide?
The InChIKey is NNZVEKIBHZNTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-11(2)17(12(3)21)20-24(22,23)16-7-5-14(6-8-16)9-15-10-18-13(4)19-15/h5-8,10-11,17,20H,9H2,1-4H3,(H,18,19).
What are the key properties of 4-[(2-methyl-1H-imidazol-5-yl)methyl]-N-(2-methyl-4-oxopentan-3-yl)benzenesulfonamide?
4-[(2-methyl-1H-imidazol-5-yl)methyl]-N-(2-methyl-4-oxopentan-3-yl)benzenesulfonamide has a molecular weight of 349.46 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-1H-imidazol-5-yl)methyl]-N-(2-methyl-4-oxopentan-3-yl)benzenesulfonamide is sourced from PubChem (CID 54121501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).