N-[2-cyano-1-(4-imidazol-1-ylphenoxy)propan-2-yl]-1-phenylmethanesulfonamide

C20H20N4O3S — CID 68803254

IUPACN-[2-cyano-1-(4-imidazol-1-ylphenoxy)propan-2-yl]-1-phenylmethanesulfonamide
SMILESCC(C#N)(COc1ccc(-n2ccnc2)cc1)NS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C20H20N4O3S/c1-20(14-21,23-28(25,26)13-17-5-3-2-4-6-17)15-27-19-9-7-18(8-10-19)24-12-11-22-16-24/h2-12,16,23H,13,15H2,1H3
InChIKeyGBGOXKMGUFVKIY-UHFFFAOYSA-N
MW396.47 g/mol
LogP2.65
Rot. Bonds8

About N-[2-cyano-1-(4-imidazol-1-ylphenoxy)propan-2-yl]-1-phenylmethanesulfonamide

N-[2-cyano-1-(4-imidazol-1-ylphenoxy)propan-2-yl]-1-phenylmethanesulfonamide (PubChem CID 68803254) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is N-[2-cyano-1-(4-imidazol-1-ylphenoxy)propan-2-yl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-cyano-1-(4-imidazol-1-ylphenoxy)propan-2-yl]-1-phenylmethanesulfonamide
PubChem CID68803254
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC NameN-[2-cyano-1-(4-imidazol-1-ylphenoxy)propan-2-yl]-1-phenylmethanesulfonamide
SMILESCC(C#N)(COc1ccc(-n2ccnc2)cc1)NS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C20H20N4O3S/c1-20(14-21,23-28(25,26)13-17-5-3-2-4-6-17)15-27-19-9-7-18(8-10-19)24-12-11-22-16-24/h2-12,16,23H,13,15H2,1H3
InChIKeyGBGOXKMGUFVKIY-UHFFFAOYSA-N
XLogP2.65
TPSA97.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[2-(benzylsulfonylamino)-2-cyanopropoxy]benzoate
CID 68800951
N-[4-(4-imidazol-1-ylphenoxy)butyl]-1-phenylmethanesulfonamide
CID 57242122
1-(4-imidazol-1-ylphenoxy)-2-methylpropan-2-amine;dihydrochloride
CID 67689860
1-(4-prop-2-enoxyphenyl)imidazole
CID 67611559
benzyl N-(4-imidazol-1-ylphenoxy)sulfonylcarbamate
CID 10474485
1-[4-[(4-imidazol-1-ylphenoxy)methyl]phenyl]imidazole
CID 132544165
N-[1-(4-acetylphenoxy)-2-cyanobutan-2-yl]-1-phenylmethanesulfonamide
CID 68799103
2-(benzylsulfonylamino)-N-(4-chlorophenyl)-2-methyl-3-[4-(1,2,4-triazol-1-yl)phenoxy]propanamide
CID 66921591
2-(4-imidazol-1-ylphenoxy)ethyl N,N-dimethylsulfamate
CID 54128900
2-(benzylsulfonylamino)-3-(4-chlorophenoxy)-2-methylpropanamide
CID 58916978
1-[4-(naphthalen-2-ylsulfonylmethyl)phenyl]imidazole
CID 100722139
N-[(4-imidazol-1-ylphenyl)methyl]-2-(methylsulfonylmethyl)aniline
CID 75385215

Frequently Asked Questions

What is the IUPAC name of N-[2-cyano-1-(4-imidazol-1-ylphenoxy)propan-2-yl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[2-cyano-1-(4-imidazol-1-ylphenoxy)propan-2-yl]-1-phenylmethanesulfonamide (CID 68803254) is N-[2-cyano-1-(4-imidazol-1-ylphenoxy)propan-2-yl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[2-cyano-1-(4-imidazol-1-ylphenoxy)propan-2-yl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[2-cyano-1-(4-imidazol-1-ylphenoxy)propan-2-yl]-1-phenylmethanesulfonamide is CC(C#N)(COc1ccc(-n2ccnc2)cc1)NS(=O)(=O)Cc1ccccc1.
What is the InChIKey of N-[2-cyano-1-(4-imidazol-1-ylphenoxy)propan-2-yl]-1-phenylmethanesulfonamide?
The InChIKey is GBGOXKMGUFVKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c1-20(14-21,23-28(25,26)13-17-5-3-2-4-6-17)15-27-19-9-7-18(8-10-19)24-12-11-22-16-24/h2-12,16,23H,13,15H2,1H3.
What are the key properties of N-[2-cyano-1-(4-imidazol-1-ylphenoxy)propan-2-yl]-1-phenylmethanesulfonamide?
N-[2-cyano-1-(4-imidazol-1-ylphenoxy)propan-2-yl]-1-phenylmethanesulfonamide has a molecular weight of 396.47 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyano-1-(4-imidazol-1-ylphenoxy)propan-2-yl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 68803254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).