N-[[3-[2-amino-1-[1-(4-chlorophenyl)cyclobutyl]ethyl]phenyl]methyl]-N,1-dimethylimidazole-4-sulfonamide

C24H29ClN4O2S — CID 56835898

IUPACN-[[3-[2-amino-1-[1-(4-chlorophenyl)cyclobutyl]ethyl]phenyl]methyl]-N,1-dimethylimidazole-4-sulfonamide
SMILESCN(Cc1cccc(C(CN)C2(c3ccc(Cl)cc3)CCC2)c1)S(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C24H29ClN4O2S/c1-28-16-23(27-17-28)32(30,31)29(2)15-18-5-3-6-19(13-18)22(14-26)24(11-4-12-24)20-7-9-21(25)10-8-20/h3,5-10,13,16-17,22H,4,11-12,14-15,26H2,1-2H3
InChIKeyGXPJAZBKQXPNOX-UHFFFAOYSA-N
MW473.04 g/mol
LogP4.06
Rot. Bonds8

About N-[[3-[2-amino-1-[1-(4-chlorophenyl)cyclobutyl]ethyl]phenyl]methyl]-N,1-dimethylimidazole-4-sulfonamide

N-[[3-[2-amino-1-[1-(4-chlorophenyl)cyclobutyl]ethyl]phenyl]methyl]-N,1-dimethylimidazole-4-sulfonamide (PubChem CID 56835898) has the molecular formula C24H29ClN4O2S and a molecular weight of 473.04 g/mol. Its IUPAC name is N-[[3-[2-amino-1-[1-(4-chlorophenyl)cyclobutyl]ethyl]phenyl]methyl]-N,1-dimethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[[3-[2-amino-1-[1-(4-chlorophenyl)cyclobutyl]ethyl]phenyl]methyl]-N,1-dimethylimidazole-4-sulfonamide
PubChem CID56835898
Molecular FormulaC24H29ClN4O2S
Molecular Weight473.04 g/mol
Exact Mass472.17
IUPAC NameN-[[3-[2-amino-1-[1-(4-chlorophenyl)cyclobutyl]ethyl]phenyl]methyl]-N,1-dimethylimidazole-4-sulfonamide
SMILESCN(Cc1cccc(C(CN)C2(c3ccc(Cl)cc3)CCC2)c1)S(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C24H29ClN4O2S/c1-28-16-23(27-17-28)32(30,31)29(2)15-18-5-3-6-19(13-18)22(14-26)24(11-4-12-24)20-7-9-21(25)10-8-20/h3,5-10,13,16-17,22H,4,11-12,14-15,26H2,1-2H3
InChIKeyGXPJAZBKQXPNOX-UHFFFAOYSA-N
XLogP4.06
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.04
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[3-[2-amino-1-[1-(4-chlorophenyl)cyclobutyl]ethyl]phenyl]methyl]-N,1-dimethylimidazole-4-sulfonamide with MolForge

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Related Compounds

N-(3-chlorophenyl)-4-(4-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-amine
CID 90404585
N-(3-chlorophenyl)-4-(2-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-amine
CID 90405229
N-(3-chlorophenyl)-4-(3-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-amine
CID 90405719
N-[[3-(1-amino-3-phenylpropan-2-yl)phenyl]methyl]-1-methylimidazole-4-sulfonamide
CID 56836671
N-[[3-[1-(dimethylamino)-3-phenylpropan-2-yl]phenyl]methyl]-1-methylimidazole-4-sulfonamide
CID 56836750
US9656955, Example 150
CID 90405244
N-[1-(2-chloro-6-fluorobenzyl)-4-piperidinyl]-1-methyl-1H-imidazole-4-sulfonamide
CID 2810685
tert-butyl N-[2-[1-(4-chlorophenyl)cyclobutyl]-2-[3-[[methyl-(1-methylimidazol-4-yl)sulfonylamino]methyl]phenyl]ethyl]carbamate
CID 56835838
N-[2-[8-[(3-chlorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]ethyl]-1-methylimidazole-4-sulfonamide
CID 57487151
N-[[1-[2-(4-chlorophenyl)propan-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl]-1-methylimidazole-4-sulfonamide
CID 58246212
N-[[1-[1-(4-chlorophenyl)cyclobutyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl]-1-methylimidazole-4-sulfonamide
CID 58246221
US9656955, Example 328
CID 86297865

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-amino-1-[1-(4-chlorophenyl)cyclobutyl]ethyl]phenyl]methyl]-N,1-dimethylimidazole-4-sulfonamide?
The IUPAC name of N-[[3-[2-amino-1-[1-(4-chlorophenyl)cyclobutyl]ethyl]phenyl]methyl]-N,1-dimethylimidazole-4-sulfonamide (CID 56835898) is N-[[3-[2-amino-1-[1-(4-chlorophenyl)cyclobutyl]ethyl]phenyl]methyl]-N,1-dimethylimidazole-4-sulfonamide.
What is the SMILES notation for N-[[3-[2-amino-1-[1-(4-chlorophenyl)cyclobutyl]ethyl]phenyl]methyl]-N,1-dimethylimidazole-4-sulfonamide?
The canonical SMILES for N-[[3-[2-amino-1-[1-(4-chlorophenyl)cyclobutyl]ethyl]phenyl]methyl]-N,1-dimethylimidazole-4-sulfonamide is CN(Cc1cccc(C(CN)C2(c3ccc(Cl)cc3)CCC2)c1)S(=O)(=O)c1cn(C)cn1.
What is the InChIKey of N-[[3-[2-amino-1-[1-(4-chlorophenyl)cyclobutyl]ethyl]phenyl]methyl]-N,1-dimethylimidazole-4-sulfonamide?
The InChIKey is GXPJAZBKQXPNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O2S/c1-28-16-23(27-17-28)32(30,31)29(2)15-18-5-3-6-19(13-18)22(14-26)24(11-4-12-24)20-7-9-21(25)10-8-20/h3,5-10,13,16-17,22H,4,11-12,14-15,26H2,1-2H3.
What are the key properties of N-[[3-[2-amino-1-[1-(4-chlorophenyl)cyclobutyl]ethyl]phenyl]methyl]-N,1-dimethylimidazole-4-sulfonamide?
N-[[3-[2-amino-1-[1-(4-chlorophenyl)cyclobutyl]ethyl]phenyl]methyl]-N,1-dimethylimidazole-4-sulfonamide has a molecular weight of 473.04 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-amino-1-[1-(4-chlorophenyl)cyclobutyl]ethyl]phenyl]methyl]-N,1-dimethylimidazole-4-sulfonamide is sourced from PubChem (CID 56835898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).