N-(1-amino-2-phenylpropan-2-yl)-2-methyl-1H-imidazole-5-sulfonamide

C13H18N4O2S — CID 105060564

IUPACN-(1-amino-2-phenylpropan-2-yl)-2-methyl-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NC(C)(CN)c2ccccc2)[nH]1
InChIInChI=1S/C13H18N4O2S/c1-10-15-8-12(16-10)20(18,19)17-13(2,9-14)11-6-4-3-5-7-11/h3-8,17H,9,14H2,1-2H3,(H,15,16)
InChIKeyFGAFMZDPUKFKAS-UHFFFAOYSA-N
MW294.38 g/mol
LogP0.87
Rot. Bonds5

About N-(1-amino-2-phenylpropan-2-yl)-2-methyl-1H-imidazole-5-sulfonamide

N-(1-amino-2-phenylpropan-2-yl)-2-methyl-1H-imidazole-5-sulfonamide (PubChem CID 105060564) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-(1-amino-2-phenylpropan-2-yl)-2-methyl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(1-amino-2-phenylpropan-2-yl)-2-methyl-1H-imidazole-5-sulfonamide
PubChem CID105060564
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC NameN-(1-amino-2-phenylpropan-2-yl)-2-methyl-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NC(C)(CN)c2ccccc2)[nH]1
InChIInChI=1S/C13H18N4O2S/c1-10-15-8-12(16-10)20(18,19)17-13(2,9-14)11-6-4-3-5-7-11/h3-8,17H,9,14H2,1-2H3,(H,15,16)
InChIKeyFGAFMZDPUKFKAS-UHFFFAOYSA-N
XLogP0.87
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2-phenylpropan-2-yl)propane-1-sulfonamide
CID 105060601
N-(2-hydroxy-2-methylpropyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 65109036
N-(1-amino-2-phenylpropan-2-yl)-2-methylpropane-1-sulfonamide
CID 105060587
2-methyl-N-(2-methyl-2-methylsulfonylpropyl)-1H-imidazole-5-sulfonamide
CID 79555580
2-methyl-N-[3-(trifluoromethyl)phenyl]-1H-imidazole-5-sulfonamide
CID 62998902
N-(1-amino-2-phenylpropan-2-yl)-3-methylbutane-1-sulfonamide
CID 105060592
2-methyl-N-[2-(2-methylphenyl)ethyl]-1H-imidazole-5-sulfonamide
CID 79755225
N-(2,6-dibromophenyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 104922595
N-[2-(methoxymethyl)phenyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 62999128
N-(1-amino-4-methoxybutan-2-yl)-2-methyl-1H-imidazole-5-sulfonamide
CID 114212253
2-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]-1H-imidazole-5-sulfonamide
CID 62999318
3-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzoic acid
CID 62999270

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-phenylpropan-2-yl)-2-methyl-1H-imidazole-5-sulfonamide?
The IUPAC name of N-(1-amino-2-phenylpropan-2-yl)-2-methyl-1H-imidazole-5-sulfonamide (CID 105060564) is N-(1-amino-2-phenylpropan-2-yl)-2-methyl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-(1-amino-2-phenylpropan-2-yl)-2-methyl-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-(1-amino-2-phenylpropan-2-yl)-2-methyl-1H-imidazole-5-sulfonamide is Cc1ncc(S(=O)(=O)NC(C)(CN)c2ccccc2)[nH]1.
What is the InChIKey of N-(1-amino-2-phenylpropan-2-yl)-2-methyl-1H-imidazole-5-sulfonamide?
The InChIKey is FGAFMZDPUKFKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-10-15-8-12(16-10)20(18,19)17-13(2,9-14)11-6-4-3-5-7-11/h3-8,17H,9,14H2,1-2H3,(H,15,16).
What are the key properties of N-(1-amino-2-phenylpropan-2-yl)-2-methyl-1H-imidazole-5-sulfonamide?
N-(1-amino-2-phenylpropan-2-yl)-2-methyl-1H-imidazole-5-sulfonamide has a molecular weight of 294.38 g/mol, XLogP of 0.87, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-phenylpropan-2-yl)-2-methyl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 105060564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).