ethyl N-[2-[4-(2-ethyl-4-phenylimidazol-1-yl)phenyl]-4-fluorophenyl]sulfonylcarbamate

C26H24FN3O4S — CID 90741895

IUPACethyl N-[2-[4-(2-ethyl-4-phenylimidazol-1-yl)phenyl]-4-fluorophenyl]sulfonylcarbamate
SMILESCCOC(=O)NS(=O)(=O)c1ccc(F)cc1-c1ccc(-n2cc(-c3ccccc3)nc2CC)cc1
InChIInChI=1S/C26H24FN3O4S/c1-3-25-28-23(19-8-6-5-7-9-19)17-30(25)21-13-10-18(11-14-21)22-16-20(27)12-15-24(22)35(32,33)29-26(31)34-4-2/h5-17H,3-4H2,1-2H3,(H,29,31)
InChIKeyCYWZXRGMSGGEDA-UHFFFAOYSA-N
MW493.56 g/mol
LogP5.34
Rot. Bonds7

About ethyl N-[2-[4-(2-ethyl-4-phenylimidazol-1-yl)phenyl]-4-fluorophenyl]sulfonylcarbamate

ethyl N-[2-[4-(2-ethyl-4-phenylimidazol-1-yl)phenyl]-4-fluorophenyl]sulfonylcarbamate (PubChem CID 90741895) has the molecular formula C26H24FN3O4S and a molecular weight of 493.56 g/mol. Its IUPAC name is ethyl N-[2-[4-(2-ethyl-4-phenylimidazol-1-yl)phenyl]-4-fluorophenyl]sulfonylcarbamate.

Molecular Properties

Compound Nameethyl N-[2-[4-(2-ethyl-4-phenylimidazol-1-yl)phenyl]-4-fluorophenyl]sulfonylcarbamate
PubChem CID90741895
Molecular FormulaC26H24FN3O4S
Molecular Weight493.56 g/mol
Exact Mass493.15
IUPAC Nameethyl N-[2-[4-(2-ethyl-4-phenylimidazol-1-yl)phenyl]-4-fluorophenyl]sulfonylcarbamate
SMILESCCOC(=O)NS(=O)(=O)c1ccc(F)cc1-c1ccc(-n2cc(-c3ccccc3)nc2CC)cc1
InChIInChI=1S/C26H24FN3O4S/c1-3-25-28-23(19-8-6-5-7-9-19)17-30(25)21-13-10-18(11-14-21)22-16-20(27)12-15-24(22)35(32,33)29-26(31)34-4-2/h5-17H,3-4H2,1-2H3,(H,29,31)
InChIKeyCYWZXRGMSGGEDA-UHFFFAOYSA-N
XLogP5.34
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.56
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl N-[2-[4-(2-ethyl-4-phenylimidazol-1-yl)phenyl]-4-fluorophenyl]sulfonylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[4-(2-ethyl-4-phenylimidazol-1-yl)phenyl]-4-fluorophenyl]sulfonylcarbamate?
The IUPAC name of ethyl N-[2-[4-(2-ethyl-4-phenylimidazol-1-yl)phenyl]-4-fluorophenyl]sulfonylcarbamate (CID 90741895) is ethyl N-[2-[4-(2-ethyl-4-phenylimidazol-1-yl)phenyl]-4-fluorophenyl]sulfonylcarbamate.
What is the SMILES notation for ethyl N-[2-[4-(2-ethyl-4-phenylimidazol-1-yl)phenyl]-4-fluorophenyl]sulfonylcarbamate?
The canonical SMILES for ethyl N-[2-[4-(2-ethyl-4-phenylimidazol-1-yl)phenyl]-4-fluorophenyl]sulfonylcarbamate is CCOC(=O)NS(=O)(=O)c1ccc(F)cc1-c1ccc(-n2cc(-c3ccccc3)nc2CC)cc1.
What is the InChIKey of ethyl N-[2-[4-(2-ethyl-4-phenylimidazol-1-yl)phenyl]-4-fluorophenyl]sulfonylcarbamate?
The InChIKey is CYWZXRGMSGGEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O4S/c1-3-25-28-23(19-8-6-5-7-9-19)17-30(25)21-13-10-18(11-14-21)22-16-20(27)12-15-24(22)35(32,33)29-26(31)34-4-2/h5-17H,3-4H2,1-2H3,(H,29,31).
What are the key properties of ethyl N-[2-[4-(2-ethyl-4-phenylimidazol-1-yl)phenyl]-4-fluorophenyl]sulfonylcarbamate?
ethyl N-[2-[4-(2-ethyl-4-phenylimidazol-1-yl)phenyl]-4-fluorophenyl]sulfonylcarbamate has a molecular weight of 493.56 g/mol, XLogP of 5.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[4-(2-ethyl-4-phenylimidazol-1-yl)phenyl]-4-fluorophenyl]sulfonylcarbamate is sourced from PubChem (CID 90741895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).