N-[2-[3-(cyanomethoxy)-4-fluorophenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide

C18H23FN4O5S — CID 134541285

IUPACN-[2-[3-(cyanomethoxy)-4-fluorophenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
SMILESN#CCOc1cc(CCNS(=O)(=O)CCCCCN2CC(=O)NC2=O)ccc1F
InChIInChI=1S/C18H23FN4O5S/c19-15-5-4-14(12-16(15)28-10-7-20)6-8-21-29(26,27)11-3-1-2-9-23-13-17(24)22-18(23)25/h4-5,12,21H,1-3,6,8-11,13H2,(H,22,24,25)
InChIKeyNKUQWLVLGRNHEB-UHFFFAOYSA-N
MW426.47 g/mol
LogP0.91
Rot. Bonds12

About N-[2-[3-(cyanomethoxy)-4-fluorophenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide

N-[2-[3-(cyanomethoxy)-4-fluorophenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide (PubChem CID 134541285) has the molecular formula C18H23FN4O5S and a molecular weight of 426.47 g/mol. Its IUPAC name is N-[2-[3-(cyanomethoxy)-4-fluorophenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-[3-(cyanomethoxy)-4-fluorophenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
PubChem CID134541285
Molecular FormulaC18H23FN4O5S
Molecular Weight426.47 g/mol
Exact Mass426.14
IUPAC NameN-[2-[3-(cyanomethoxy)-4-fluorophenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
SMILESN#CCOc1cc(CCNS(=O)(=O)CCCCCN2CC(=O)NC2=O)ccc1F
InChIInChI=1S/C18H23FN4O5S/c19-15-5-4-14(12-16(15)28-10-7-20)6-8-21-29(26,27)11-3-1-2-9-23-13-17(24)22-18(23)25/h4-5,12,21H,1-3,6,8-11,13H2,(H,22,24,25)
InChIKeyNKUQWLVLGRNHEB-UHFFFAOYSA-N
XLogP0.91
TPSA128.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-[3-(cyanomethoxy)-4-fluorophenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide 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

US10858344, Example 89
CID 124185663
US10858344, Example 88
CID 124185943
US10858344, Example 90
CID 124185661
US10858344, Example 82
CID 124185928
US10858344, Example 84
CID 124185929
US10858344, Example 83
CID 124185938
US10858344, Example 87
CID 124185939
US10858344, Example 81
CID 124186255
US10858344, Example 98
CID 134541528
US10858344, Example 99
CID 153312081
US10858344, Example 101
CID 153312105
US10858344, Example 100
CID 155347018

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(cyanomethoxy)-4-fluorophenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide?
The IUPAC name of N-[2-[3-(cyanomethoxy)-4-fluorophenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide (CID 134541285) is N-[2-[3-(cyanomethoxy)-4-fluorophenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide.
What is the SMILES notation for N-[2-[3-(cyanomethoxy)-4-fluorophenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide?
The canonical SMILES for N-[2-[3-(cyanomethoxy)-4-fluorophenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide is N#CCOc1cc(CCNS(=O)(=O)CCCCCN2CC(=O)NC2=O)ccc1F.
What is the InChIKey of N-[2-[3-(cyanomethoxy)-4-fluorophenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide?
The InChIKey is NKUQWLVLGRNHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O5S/c19-15-5-4-14(12-16(15)28-10-7-20)6-8-21-29(26,27)11-3-1-2-9-23-13-17(24)22-18(23)25/h4-5,12,21H,1-3,6,8-11,13H2,(H,22,24,25).
What are the key properties of N-[2-[3-(cyanomethoxy)-4-fluorophenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide?
N-[2-[3-(cyanomethoxy)-4-fluorophenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide has a molecular weight of 426.47 g/mol, XLogP of 0.91, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(cyanomethoxy)-4-fluorophenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide is sourced from PubChem (CID 134541285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).