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

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).