3-cyclopentyloxy-N-[3-[4-[(2,4-dioxoimidazolidin-1-yl)methyl]phenyl]-1-methylazetidin-3-yl]benzenesulfonamide

C25H30N4O5S — CID 146230429

IUPAC3-cyclopentyloxy-N-[3-[4-[(2,4-dioxoimidazolidin-1-yl)methyl]phenyl]-1-methylazetidin-3-yl]benzenesulfonamide
SMILESCN1CC(NS(=O)(=O)c2cccc(OC3CCCC3)c2)(c2ccc(CN3CC(=O)NC3=O)cc2)C1
InChIInChI=1S/C25H30N4O5S/c1-28-16-25(17-28,19-11-9-18(10-12-19)14-29-15-23(30)26-24(29)31)27-35(32,33)22-8-4-7-21(13-22)34-20-5-2-3-6-20/h4,7-13,20,27H,2-3,5-6,14-17H2,1H3,(H,26,30,31)
InChIKeyXZEGOGGNBVTCNO-UHFFFAOYSA-N
MW498.61 g/mol
LogP2.18
Rot. Bonds8

About 3-cyclopentyloxy-N-[3-[4-[(2,4-dioxoimidazolidin-1-yl)methyl]phenyl]-1-methylazetidin-3-yl]benzenesulfonamide

3-cyclopentyloxy-N-[3-[4-[(2,4-dioxoimidazolidin-1-yl)methyl]phenyl]-1-methylazetidin-3-yl]benzenesulfonamide (PubChem CID 146230429) has the molecular formula C25H30N4O5S and a molecular weight of 498.61 g/mol. Its IUPAC name is 3-cyclopentyloxy-N-[3-[4-[(2,4-dioxoimidazolidin-1-yl)methyl]phenyl]-1-methylazetidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-cyclopentyloxy-N-[3-[4-[(2,4-dioxoimidazolidin-1-yl)methyl]phenyl]-1-methylazetidin-3-yl]benzenesulfonamide
PubChem CID146230429
Molecular FormulaC25H30N4O5S
Molecular Weight498.61 g/mol
Exact Mass498.19
IUPAC Name3-cyclopentyloxy-N-[3-[4-[(2,4-dioxoimidazolidin-1-yl)methyl]phenyl]-1-methylazetidin-3-yl]benzenesulfonamide
SMILESCN1CC(NS(=O)(=O)c2cccc(OC3CCCC3)c2)(c2ccc(CN3CC(=O)NC3=O)cc2)C1
InChIInChI=1S/C25H30N4O5S/c1-28-16-25(17-28,19-11-9-18(10-12-19)14-29-15-23(30)26-24(29)31)27-35(32,33)22-8-4-7-21(13-22)34-20-5-2-3-6-20/h4,7-13,20,27H,2-3,5-6,14-17H2,1H3,(H,26,30,31)
InChIKeyXZEGOGGNBVTCNO-UHFFFAOYSA-N
XLogP2.18
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.61
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopentyloxy-N-[[5-[(2,4-dioxoimidazolidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]benzenesulfonamide
CID 146229837
1-[[1-(3-cyclopentyloxyphenyl)sulfanyl-2,3-dihydroindol-5-yl]methyl]imidazolidine-2,4-dione
CID 162532077
3-(cyclopropylmethoxy)-N-[3-[2-(2,4-dioxoimidazolidin-1-yl)ethoxy]propyl]benzenesulfonamide
CID 134542844
3-(cyclopentylmethoxy)-N-[[2-[(2,4-dioxoimidazolidin-1-yl)methyl]-1H-imidazol-5-yl]methyl]benzenesulfonamide;3-(cyclopentylmethoxy)-N-[[5-[(2,4-dioxoimidazolidin-1-yl)methyl]-1H-imidazol-2-yl]methyl]benzenesulfonamide;3-cyclopentyloxy-N-[[5-[(2,4-dioxoimidazolidin-1-yl)methyl]furan-2-yl]methyl]benzenesulfonamide;3-cyclopentyloxy-N-[[5-[(2,4-dioxoimidazolidin-1-yl)methyl]-1H-1,2,4-triazol-3-yl]methyl]benzenesulfonamide;N-[[5-[(2,4-dioxoimidazolidin-1-yl)methyl]furan-2-yl]methyl]-3-(2-fluoropropoxy)benzenesulfonamide;N-[[2-[(2,4-dioxoimidazolidin-1-yl)methyl]-1H-imidazol-5-yl]methyl]-3-(2-fluoropropoxy)benzenesulfonamide;N-[[5-[(2,4-dioxoimidazolidin-1-yl)methyl]-1H-imidazol-2-yl]methyl]-3-(2-fluoropropoxy)benzenesulfonamide;N-[[5-[(2,4-dioxoimidazolidin-1-yl)methyl]-1H-1,2,4-triazol-3-yl]methyl]-3-(2-fluoropropoxy)benzenesulfonamide
CID 163928828
3-(2,2-difluoroethoxy)-N-[6-(2,4-dioxoimidazolidin-1-yl)hexyl]benzenesulfonamide
CID 146230379
3-cyclopentyloxy-N-[4-(2,4-dioxoimidazolidin-1-yl)phenyl]benzenesulfonamide;3-cyclopentyloxy-N-[[3-(2,4-dioxoimidazolidin-1-yl)phenyl]methyl]benzenesulfonamide;3-cyclopentyloxy-N-[[4-(2,4-dioxoimidazolidin-1-yl)phenyl]methyl]benzenesulfonamide;3-(2-cyclopropylethyl)-N-[[4-(2,4-dioxoimidazolidin-1-yl)phenyl]methyl]benzenesulfonamide;3-(cyclopropylmethoxy)-N-[4-(2,4-dioxoimidazolidin-1-yl)phenyl]benzenesulfonamide;N-[4-(2,4-dioxoimidazolidin-1-yl)phenyl]-3-(2-fluoropropoxy)benzenesulfonamide;N-[[3-(2,4-dioxoimidazolidin-1-yl)phenyl]methyl]-3-(2-fluoropropoxy)benzenesulfonamide
CID 163950999
4-cyclopentyloxy-N-(1-phenylcyclobutyl)benzenesulfonamide
CID 113091508
1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]imidazolidine-2,4-dione
CID 91202663
3-(cyclopropylmethoxy)-N-[(E)-6-(2,4-dioxoimidazolidin-1-yl)hex-4-enyl]benzenesulfonamide
CID 134553638
1-[(4-phenylphenyl)methyl]imidazolidine-2,4-dione
CID 57470956
1-benzylimidazolidine-2,4-dione;2-cyclohexylacetamide
CID 68593758
N-[1-[(3-cyclopentyloxyphenyl)methyl]piperidin-4-yl]methanesulfonamide
CID 77081003

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyloxy-N-[3-[4-[(2,4-dioxoimidazolidin-1-yl)methyl]phenyl]-1-methylazetidin-3-yl]benzenesulfonamide?
The IUPAC name of 3-cyclopentyloxy-N-[3-[4-[(2,4-dioxoimidazolidin-1-yl)methyl]phenyl]-1-methylazetidin-3-yl]benzenesulfonamide (CID 146230429) is 3-cyclopentyloxy-N-[3-[4-[(2,4-dioxoimidazolidin-1-yl)methyl]phenyl]-1-methylazetidin-3-yl]benzenesulfonamide.
What is the SMILES notation for 3-cyclopentyloxy-N-[3-[4-[(2,4-dioxoimidazolidin-1-yl)methyl]phenyl]-1-methylazetidin-3-yl]benzenesulfonamide?
The canonical SMILES for 3-cyclopentyloxy-N-[3-[4-[(2,4-dioxoimidazolidin-1-yl)methyl]phenyl]-1-methylazetidin-3-yl]benzenesulfonamide is CN1CC(NS(=O)(=O)c2cccc(OC3CCCC3)c2)(c2ccc(CN3CC(=O)NC3=O)cc2)C1.
What is the InChIKey of 3-cyclopentyloxy-N-[3-[4-[(2,4-dioxoimidazolidin-1-yl)methyl]phenyl]-1-methylazetidin-3-yl]benzenesulfonamide?
The InChIKey is XZEGOGGNBVTCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O5S/c1-28-16-25(17-28,19-11-9-18(10-12-19)14-29-15-23(30)26-24(29)31)27-35(32,33)22-8-4-7-21(13-22)34-20-5-2-3-6-20/h4,7-13,20,27H,2-3,5-6,14-17H2,1H3,(H,26,30,31).
What are the key properties of 3-cyclopentyloxy-N-[3-[4-[(2,4-dioxoimidazolidin-1-yl)methyl]phenyl]-1-methylazetidin-3-yl]benzenesulfonamide?
3-cyclopentyloxy-N-[3-[4-[(2,4-dioxoimidazolidin-1-yl)methyl]phenyl]-1-methylazetidin-3-yl]benzenesulfonamide has a molecular weight of 498.61 g/mol, XLogP of 2.18, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyloxy-N-[3-[4-[(2,4-dioxoimidazolidin-1-yl)methyl]phenyl]-1-methylazetidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 146230429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).