5-(2,4-dioxoimidazolidin-1-yl)-N-[(1S)-1-[2-methyl-5-(2-methylbutoxy)phenyl]ethyl]pentane-1-sulfonamide

C22H35N3O5S — CID 135198022

IUPAC5-(2,4-dioxoimidazolidin-1-yl)-N-[(1S)-1-[2-methyl-5-(2-methylbutoxy)phenyl]ethyl]pentane-1-sulfonamide
SMILESCCC(C)COc1ccc(C)c([C@H](C)NS(=O)(=O)CCCCCN2CC(=O)NC2=O)c1
InChIInChI=1S/C22H35N3O5S/c1-5-16(2)15-30-19-10-9-17(3)20(13-19)18(4)24-31(28,29)12-8-6-7-11-25-14-21(26)23-22(25)27/h9-10,13,16,18,24H,5-8,11-12,14-15H2,1-4H3,(H,23,26,27)/t16?,18-/m0/s1
InChIKeyCJDBKNBJKPYCHJ-DAFXYXGESA-N
MW453.61 g/mol
LogP3.12
Rot. Bonds13

About 5-(2,4-dioxoimidazolidin-1-yl)-N-[(1S)-1-[2-methyl-5-(2-methylbutoxy)phenyl]ethyl]pentane-1-sulfonamide

5-(2,4-dioxoimidazolidin-1-yl)-N-[(1S)-1-[2-methyl-5-(2-methylbutoxy)phenyl]ethyl]pentane-1-sulfonamide (PubChem CID 135198022) has the molecular formula C22H35N3O5S and a molecular weight of 453.61 g/mol. Its IUPAC name is 5-(2,4-dioxoimidazolidin-1-yl)-N-[(1S)-1-[2-methyl-5-(2-methylbutoxy)phenyl]ethyl]pentane-1-sulfonamide.

Molecular Properties

Compound Name5-(2,4-dioxoimidazolidin-1-yl)-N-[(1S)-1-[2-methyl-5-(2-methylbutoxy)phenyl]ethyl]pentane-1-sulfonamide
PubChem CID135198022
Molecular FormulaC22H35N3O5S
Molecular Weight453.61 g/mol
Exact Mass453.23
IUPAC Name5-(2,4-dioxoimidazolidin-1-yl)-N-[(1S)-1-[2-methyl-5-(2-methylbutoxy)phenyl]ethyl]pentane-1-sulfonamide
SMILESCCC(C)COc1ccc(C)c([C@H](C)NS(=O)(=O)CCCCCN2CC(=O)NC2=O)c1
InChIInChI=1S/C22H35N3O5S/c1-5-16(2)15-30-19-10-9-17(3)20(13-19)18(4)24-31(28,29)12-8-6-7-11-25-14-21(26)23-22(25)27/h9-10,13,16,18,24H,5-8,11-12,14-15H2,1-4H3,(H,23,26,27)/t16?,18-/m0/s1
InChIKeyCJDBKNBJKPYCHJ-DAFXYXGESA-N
XLogP3.12
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.61
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-1-(2,4-difluoro-3-propoxyphenyl)ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 155370304
5-(2,4-dioxoimidazolidin-1-yl)-N-[1-(5-ethoxy-1H-imidazol-2-yl)ethyl]pentane-1-sulfonamide
CID 147072969
N-[1-[3-(cyanomethoxy)-4-fluorophenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 153312100
5-(2,4-dioxoimidazolidin-1-yl)-N-[1-[4-fluoro-3-(2-hydroxy-2-methylpropoxy)phenyl]ethyl]pentane-1-sulfonamide
CID 134541500
N-[(1R)-1-[3-chloro-5-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 155370092
N-[(1R)-1-[5-(cyclopropylmethoxy)-4-fluoro-1H-pyrrol-2-yl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 148944581
N-[(1R)-1-[2-(cyclopropylmethoxy)-4-pyridinyl]propyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 155369984
5-(2,4-dioxoimidazolidin-1-yl)-N-[(1R)-1-(4-fluoro-3-piperazin-1-ylphenyl)ethyl]pentane-1-sulfonamide
CID 134553976
3-(2,2-difluoroethoxy)-N-[6-(2,4-dioxoimidazolidin-1-yl)hexyl]benzenesulfonamide
CID 146230379
N-[(R)-[3-(cyclopropylmethoxy)-4-fluorophenyl]-(1-methylazetidin-3-yl)methyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 155370104
N-[(1S)-1-[5-(cyclopropylmethoxy)-2-fluorophenyl]ethyl]-5-(2-hydroxy-4-oxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 135198126
N-[1-[3-(2,2-dimethylpropoxy)-4-fluorophenyl]ethyl]-5-(2,4-dioxo-1,3-diazinan-1-yl)pentane-1-sulfonamide
CID 135378815

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dioxoimidazolidin-1-yl)-N-[(1S)-1-[2-methyl-5-(2-methylbutoxy)phenyl]ethyl]pentane-1-sulfonamide?
The IUPAC name of 5-(2,4-dioxoimidazolidin-1-yl)-N-[(1S)-1-[2-methyl-5-(2-methylbutoxy)phenyl]ethyl]pentane-1-sulfonamide (CID 135198022) is 5-(2,4-dioxoimidazolidin-1-yl)-N-[(1S)-1-[2-methyl-5-(2-methylbutoxy)phenyl]ethyl]pentane-1-sulfonamide.
What is the SMILES notation for 5-(2,4-dioxoimidazolidin-1-yl)-N-[(1S)-1-[2-methyl-5-(2-methylbutoxy)phenyl]ethyl]pentane-1-sulfonamide?
The canonical SMILES for 5-(2,4-dioxoimidazolidin-1-yl)-N-[(1S)-1-[2-methyl-5-(2-methylbutoxy)phenyl]ethyl]pentane-1-sulfonamide is CCC(C)COc1ccc(C)c([C@H](C)NS(=O)(=O)CCCCCN2CC(=O)NC2=O)c1.
What is the InChIKey of 5-(2,4-dioxoimidazolidin-1-yl)-N-[(1S)-1-[2-methyl-5-(2-methylbutoxy)phenyl]ethyl]pentane-1-sulfonamide?
The InChIKey is CJDBKNBJKPYCHJ-DAFXYXGESA-N. The full InChI is InChI=1S/C22H35N3O5S/c1-5-16(2)15-30-19-10-9-17(3)20(13-19)18(4)24-31(28,29)12-8-6-7-11-25-14-21(26)23-22(25)27/h9-10,13,16,18,24H,5-8,11-12,14-15H2,1-4H3,(H,23,26,27)/t16?,18-/m0/s1.
What are the key properties of 5-(2,4-dioxoimidazolidin-1-yl)-N-[(1S)-1-[2-methyl-5-(2-methylbutoxy)phenyl]ethyl]pentane-1-sulfonamide?
5-(2,4-dioxoimidazolidin-1-yl)-N-[(1S)-1-[2-methyl-5-(2-methylbutoxy)phenyl]ethyl]pentane-1-sulfonamide has a molecular weight of 453.61 g/mol, XLogP of 3.12, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dioxoimidazolidin-1-yl)-N-[(1S)-1-[2-methyl-5-(2-methylbutoxy)phenyl]ethyl]pentane-1-sulfonamide is sourced from PubChem (CID 135198022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).