3-cyclopentyloxy-N-[[5-[(2,4-dioxoimidazolidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]benzenesulfonamide

C19H22N4O5S2 — CID 146229837

IUPAC3-cyclopentyloxy-N-[[5-[(2,4-dioxoimidazolidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]benzenesulfonamide
SMILESO=C1CN(Cc2cnc(CNS(=O)(=O)c3cccc(OC4CCCC4)c3)s2)C(=O)N1
InChIInChI=1S/C19H22N4O5S2/c24-17-12-23(19(25)22-17)11-15-9-20-18(29-15)10-21-30(26,27)16-7-3-6-14(8-16)28-13-4-1-2-5-13/h3,6-9,13,21H,1-2,4-5,10-12H2,(H,22,24,25)
InChIKeyMSSMRESWMSFPGP-UHFFFAOYSA-N
MW450.54 g/mol
LogP1.99
Rot. Bonds8

About 3-cyclopentyloxy-N-[[5-[(2,4-dioxoimidazolidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]benzenesulfonamide

3-cyclopentyloxy-N-[[5-[(2,4-dioxoimidazolidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]benzenesulfonamide (PubChem CID 146229837) has the molecular formula C19H22N4O5S2 and a molecular weight of 450.54 g/mol. Its IUPAC name is 3-cyclopentyloxy-N-[[5-[(2,4-dioxoimidazolidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-cyclopentyloxy-N-[[5-[(2,4-dioxoimidazolidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]benzenesulfonamide
PubChem CID146229837
Molecular FormulaC19H22N4O5S2
Molecular Weight450.54 g/mol
Exact Mass450.10
IUPAC Name3-cyclopentyloxy-N-[[5-[(2,4-dioxoimidazolidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]benzenesulfonamide
SMILESO=C1CN(Cc2cnc(CNS(=O)(=O)c3cccc(OC4CCCC4)c3)s2)C(=O)N1
InChIInChI=1S/C19H22N4O5S2/c24-17-12-23(19(25)22-17)11-15-9-20-18(29-15)10-21-30(26,27)16-7-3-6-14(8-16)28-13-4-1-2-5-13/h3,6-9,13,21H,1-2,4-5,10-12H2,(H,22,24,25)
InChIKeyMSSMRESWMSFPGP-UHFFFAOYSA-N
XLogP1.99
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopentyloxy-N-[3-[4-[(2,4-dioxoimidazolidin-1-yl)methyl]phenyl]-1-methylazetidin-3-yl]benzenesulfonamide
CID 146230429
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)methyl]-3-pyridinyl]methyl]benzenesulfonamide
CID 146230403
3-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 104868462
3-(cyclopropylmethoxy)-N-[3-[2-(2,4-dioxoimidazolidin-1-yl)ethoxy]propyl]benzenesulfonamide
CID 134542844
3-(2,2-difluoroethoxy)-N-[6-(2,4-dioxoimidazolidin-1-yl)hexyl]benzenesulfonamide
CID 146230379
3-(cyclopropylmethoxy)-N-[(E)-6-(2,4-dioxoimidazolidin-1-yl)hex-4-enyl]benzenesulfonamide
CID 134553638
1-[[1-(3-cyclopentyloxyphenyl)sulfanyl-2,3-dihydroindol-5-yl]methyl]imidazolidine-2,4-dione
CID 162532077
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
N-(3-cyclopentyloxyphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 38407060
3-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 104868457
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1,3-dioxoisoindole-5-sulfonamide
CID 56561825

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyloxy-N-[[5-[(2,4-dioxoimidazolidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 3-cyclopentyloxy-N-[[5-[(2,4-dioxoimidazolidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]benzenesulfonamide (CID 146229837) is 3-cyclopentyloxy-N-[[5-[(2,4-dioxoimidazolidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 3-cyclopentyloxy-N-[[5-[(2,4-dioxoimidazolidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 3-cyclopentyloxy-N-[[5-[(2,4-dioxoimidazolidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]benzenesulfonamide is O=C1CN(Cc2cnc(CNS(=O)(=O)c3cccc(OC4CCCC4)c3)s2)C(=O)N1.
What is the InChIKey of 3-cyclopentyloxy-N-[[5-[(2,4-dioxoimidazolidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]benzenesulfonamide?
The InChIKey is MSSMRESWMSFPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O5S2/c24-17-12-23(19(25)22-17)11-15-9-20-18(29-15)10-21-30(26,27)16-7-3-6-14(8-16)28-13-4-1-2-5-13/h3,6-9,13,21H,1-2,4-5,10-12H2,(H,22,24,25).
What are the key properties of 3-cyclopentyloxy-N-[[5-[(2,4-dioxoimidazolidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]benzenesulfonamide?
3-cyclopentyloxy-N-[[5-[(2,4-dioxoimidazolidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]benzenesulfonamide has a molecular weight of 450.54 g/mol, XLogP of 1.99, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyloxy-N-[[5-[(2,4-dioxoimidazolidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 146229837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).