N-[4-(4-imidazol-1-ylphenoxy)butyl]-1-phenylmethanesulfonamide

C20H23N3O3S — CID 57242122

IUPACN-[4-(4-imidazol-1-ylphenoxy)butyl]-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCCCCOc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C20H23N3O3S/c24-27(25,16-18-6-2-1-3-7-18)22-12-4-5-15-26-20-10-8-19(9-11-20)23-14-13-21-17-23/h1-3,6-11,13-14,17,22H,4-5,12,15-16H2
InChIKeyQHKGOUZHYRYKDN-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.15
Rot. Bonds10

About N-[4-(4-imidazol-1-ylphenoxy)butyl]-1-phenylmethanesulfonamide

N-[4-(4-imidazol-1-ylphenoxy)butyl]-1-phenylmethanesulfonamide (PubChem CID 57242122) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-[4-(4-imidazol-1-ylphenoxy)butyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[4-(4-imidazol-1-ylphenoxy)butyl]-1-phenylmethanesulfonamide
PubChem CID57242122
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC NameN-[4-(4-imidazol-1-ylphenoxy)butyl]-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCCCCOc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C20H23N3O3S/c24-27(25,16-18-6-2-1-3-7-18)22-12-4-5-15-26-20-10-8-19(9-11-20)23-14-13-21-17-23/h1-3,6-11,13-14,17,22H,4-5,12,15-16H2
InChIKeyQHKGOUZHYRYKDN-UHFFFAOYSA-N
XLogP3.15
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[4-(4-imidazol-1-ylphenoxy)butyl]-1-phenylmethanesulfonamide 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

N-[2-cyano-1-(4-imidazol-1-ylphenoxy)propan-2-yl]-1-phenylmethanesulfonamide
CID 68803254
4-(4-imidazol-1-ylphenoxy)butan-1-ol
CID 91307784
2-bromo-N-[4-(4-imidazol-1-ylphenoxy)butyl]benzamide
CID 67693712
1-benzyl-2-[3-(4-imidazol-1-ylphenoxy)propyl]benzimidazole
CID 90040023
1-(4-hex-5-enoxyphenyl)imidazole
CID 86214589
2-(4-imidazol-1-ylphenoxy)ethyl N,N-dimethylsulfamate
CID 54128900
1-[2-(4-imidazol-1-ylphenoxy)ethylamino]-3-phenoxypropan-2-ol
CID 14739905
benzyl N-(4-imidazol-1-ylphenoxy)sulfonylcarbamate
CID 10474485
1-[4-[(4-imidazol-1-ylphenoxy)methyl]phenyl]imidazole
CID 132544165
1-[4-(naphthalen-2-ylsulfonylmethyl)phenyl]imidazole
CID 100722139
methyl 2-[[4-[2-(4-imidazol-1-ylphenoxy)ethyl]phenoxy]methyl]benzoate
CID 68869830
1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]imidazole
CID 21193484

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-imidazol-1-ylphenoxy)butyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[4-(4-imidazol-1-ylphenoxy)butyl]-1-phenylmethanesulfonamide (CID 57242122) is N-[4-(4-imidazol-1-ylphenoxy)butyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[4-(4-imidazol-1-ylphenoxy)butyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[4-(4-imidazol-1-ylphenoxy)butyl]-1-phenylmethanesulfonamide is O=S(=O)(Cc1ccccc1)NCCCCOc1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-[4-(4-imidazol-1-ylphenoxy)butyl]-1-phenylmethanesulfonamide?
The InChIKey is QHKGOUZHYRYKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c24-27(25,16-18-6-2-1-3-7-18)22-12-4-5-15-26-20-10-8-19(9-11-20)23-14-13-21-17-23/h1-3,6-11,13-14,17,22H,4-5,12,15-16H2.
What are the key properties of N-[4-(4-imidazol-1-ylphenoxy)butyl]-1-phenylmethanesulfonamide?
N-[4-(4-imidazol-1-ylphenoxy)butyl]-1-phenylmethanesulfonamide has a molecular weight of 385.49 g/mol, XLogP of 3.15, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-imidazol-1-ylphenoxy)butyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 57242122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).