5-(2,4-dioxoimidazolidin-1-yl)-N-[(1R)-1-[4-fluoro-3-(oxan-4-ylmethoxy)phenyl]ethyl]pentane-1-sulfonamide

C22H32FN3O6S — CID 155347018

IUPAC5-(2,4-dioxoimidazolidin-1-yl)-N-[(1R)-1-[4-fluoro-3-(oxan-4-ylmethoxy)phenyl]ethyl]pentane-1-sulfonamide
SMILESC[C@@H](NS(=O)(=O)CCCCCN1CC(=O)NC1=O)c1ccc(F)c(OCC2CCOCC2)c1
InChIInChI=1S/C22H32FN3O6S/c1-16(18-5-6-19(23)20(13-18)32-15-17-7-10-31-11-8-17)25-33(29,30)12-4-2-3-9-26-14-21(27)24-22(26)28/h5-6,13,16-17,25H,2-4,7-12,14-15H2,1H3,(H,24,27,28)/t16-/m1/s1
InChIKeySRKPWKGHQSDCBI-MRXNPFEDSA-N
MW485.58 g/mol
LogP2.33
Rot. Bonds12

About 5-(2,4-dioxoimidazolidin-1-yl)-N-[(1R)-1-[4-fluoro-3-(oxan-4-ylmethoxy)phenyl]ethyl]pentane-1-sulfonamide

5-(2,4-dioxoimidazolidin-1-yl)-N-[(1R)-1-[4-fluoro-3-(oxan-4-ylmethoxy)phenyl]ethyl]pentane-1-sulfonamide (PubChem CID 155347018) has the molecular formula C22H32FN3O6S and a molecular weight of 485.58 g/mol. Its IUPAC name is 5-(2,4-dioxoimidazolidin-1-yl)-N-[(1R)-1-[4-fluoro-3-(oxan-4-ylmethoxy)phenyl]ethyl]pentane-1-sulfonamide.

Molecular Properties

Compound Name5-(2,4-dioxoimidazolidin-1-yl)-N-[(1R)-1-[4-fluoro-3-(oxan-4-ylmethoxy)phenyl]ethyl]pentane-1-sulfonamide
PubChem CID155347018
Molecular FormulaC22H32FN3O6S
Molecular Weight485.58 g/mol
Exact Mass485.20
IUPAC Name5-(2,4-dioxoimidazolidin-1-yl)-N-[(1R)-1-[4-fluoro-3-(oxan-4-ylmethoxy)phenyl]ethyl]pentane-1-sulfonamide
SMILESC[C@@H](NS(=O)(=O)CCCCCN1CC(=O)NC1=O)c1ccc(F)c(OCC2CCOCC2)c1
InChIInChI=1S/C22H32FN3O6S/c1-16(18-5-6-19(23)20(13-18)32-15-17-7-10-31-11-8-17)25-33(29,30)12-4-2-3-9-26-14-21(27)24-22(26)28/h5-6,13,16-17,25H,2-4,7-12,14-15H2,1H3,(H,24,27,28)/t16-/m1/s1
InChIKeySRKPWKGHQSDCBI-MRXNPFEDSA-N
XLogP2.33
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.58
LogP ≤ 52.33
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'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dioxoimidazolidin-1-yl)-N-[(1R)-1-[4-fluoro-3-(oxan-4-ylmethoxy)phenyl]ethyl]pentane-1-sulfonamide?
The IUPAC name of 5-(2,4-dioxoimidazolidin-1-yl)-N-[(1R)-1-[4-fluoro-3-(oxan-4-ylmethoxy)phenyl]ethyl]pentane-1-sulfonamide (CID 155347018) is 5-(2,4-dioxoimidazolidin-1-yl)-N-[(1R)-1-[4-fluoro-3-(oxan-4-ylmethoxy)phenyl]ethyl]pentane-1-sulfonamide.
What is the SMILES notation for 5-(2,4-dioxoimidazolidin-1-yl)-N-[(1R)-1-[4-fluoro-3-(oxan-4-ylmethoxy)phenyl]ethyl]pentane-1-sulfonamide?
The canonical SMILES for 5-(2,4-dioxoimidazolidin-1-yl)-N-[(1R)-1-[4-fluoro-3-(oxan-4-ylmethoxy)phenyl]ethyl]pentane-1-sulfonamide is C[C@@H](NS(=O)(=O)CCCCCN1CC(=O)NC1=O)c1ccc(F)c(OCC2CCOCC2)c1.
What is the InChIKey of 5-(2,4-dioxoimidazolidin-1-yl)-N-[(1R)-1-[4-fluoro-3-(oxan-4-ylmethoxy)phenyl]ethyl]pentane-1-sulfonamide?
The InChIKey is SRKPWKGHQSDCBI-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H32FN3O6S/c1-16(18-5-6-19(23)20(13-18)32-15-17-7-10-31-11-8-17)25-33(29,30)12-4-2-3-9-26-14-21(27)24-22(26)28/h5-6,13,16-17,25H,2-4,7-12,14-15H2,1H3,(H,24,27,28)/t16-/m1/s1.
What are the key properties of 5-(2,4-dioxoimidazolidin-1-yl)-N-[(1R)-1-[4-fluoro-3-(oxan-4-ylmethoxy)phenyl]ethyl]pentane-1-sulfonamide?
5-(2,4-dioxoimidazolidin-1-yl)-N-[(1R)-1-[4-fluoro-3-(oxan-4-ylmethoxy)phenyl]ethyl]pentane-1-sulfonamide has a molecular weight of 485.58 g/mol, XLogP of 2.33, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dioxoimidazolidin-1-yl)-N-[(1R)-1-[4-fluoro-3-(oxan-4-ylmethoxy)phenyl]ethyl]pentane-1-sulfonamide is sourced from PubChem (CID 155347018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).