5-(2,4-dioxoimidazolidin-1-yl)-N-[1-(5-ethoxy-1H-imidazol-2-yl)ethyl]pentane-1-sulfonamide

C15H25N5O5S — CID 147072969

IUPAC5-(2,4-dioxoimidazolidin-1-yl)-N-[1-(5-ethoxy-1H-imidazol-2-yl)ethyl]pentane-1-sulfonamide
SMILESCCOc1cnc(C(C)NS(=O)(=O)CCCCCN2CC(=O)NC2=O)[nH]1
InChIInChI=1S/C15H25N5O5S/c1-3-25-13-9-16-14(18-13)11(2)19-26(23,24)8-6-4-5-7-20-10-12(21)17-15(20)22/h9,11,19H,3-8,10H2,1-2H3,(H,16,18)(H,17,21,22)
InChIKeyBFKHKINSVJMKPJ-UHFFFAOYSA-N
MW387.46 g/mol
LogP0.51
Rot. Bonds11

About 5-(2,4-dioxoimidazolidin-1-yl)-N-[1-(5-ethoxy-1H-imidazol-2-yl)ethyl]pentane-1-sulfonamide

5-(2,4-dioxoimidazolidin-1-yl)-N-[1-(5-ethoxy-1H-imidazol-2-yl)ethyl]pentane-1-sulfonamide (PubChem CID 147072969) has the molecular formula C15H25N5O5S and a molecular weight of 387.46 g/mol. Its IUPAC name is 5-(2,4-dioxoimidazolidin-1-yl)-N-[1-(5-ethoxy-1H-imidazol-2-yl)ethyl]pentane-1-sulfonamide.

Molecular Properties

Compound Name5-(2,4-dioxoimidazolidin-1-yl)-N-[1-(5-ethoxy-1H-imidazol-2-yl)ethyl]pentane-1-sulfonamide
PubChem CID147072969
Molecular FormulaC15H25N5O5S
Molecular Weight387.46 g/mol
Exact Mass387.16
IUPAC Name5-(2,4-dioxoimidazolidin-1-yl)-N-[1-(5-ethoxy-1H-imidazol-2-yl)ethyl]pentane-1-sulfonamide
SMILESCCOc1cnc(C(C)NS(=O)(=O)CCCCCN2CC(=O)NC2=O)[nH]1
InChIInChI=1S/C15H25N5O5S/c1-3-25-13-9-16-14(18-13)11(2)19-26(23,24)8-6-4-5-7-20-10-12(21)17-15(20)22/h9,11,19H,3-8,10H2,1-2H3,(H,16,18)(H,17,21,22)
InChIKeyBFKHKINSVJMKPJ-UHFFFAOYSA-N
XLogP0.51
TPSA133.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 50.51
H-Bond Donors ≤ 53
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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Related Compounds

N-[(1R)-1-[5-(cyclopropylmethoxy)-4-fluoro-1H-pyrrol-2-yl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 148944581
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-[(1S)-1-[2-methyl-5-(2-methylbutoxy)phenyl]ethyl]pentane-1-sulfonamide
CID 135198022
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-[2-(cyclopropylmethoxy)-4-pyridinyl]propyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 155369984
N-[(1R)-1-[3-chloro-5-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 155370092
1-[5-[2-[2-(propoxymethyl)-1H-imidazol-5-yl]propylsulfonyl]pentyl]imidazolidine-2,4-dione
CID 158068459
1-[5-[2-[2-(2-methoxyethoxymethyl)-1H-imidazol-5-yl]propylsulfonyl]pentyl]imidazolidine-2,4-dione
CID 159929213
5-(2,4-dioxoimidazolidin-1-yl)-N-[(1R)-1-(4-fluoro-3-piperazin-1-ylphenyl)ethyl]pentane-1-sulfonamide
CID 134553976
N-[(1R)-1-[5-(cyclopropylmethoxy)-4-methyl-1,2-oxazol-3-yl]-3-methylbutyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 155370046
1-[5-[2-(2-pyrrolidin-1-yl-1H-imidazol-5-yl)propylsulfonyl]pentyl]imidazolidine-2,4-dione
CID 158438021

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dioxoimidazolidin-1-yl)-N-[1-(5-ethoxy-1H-imidazol-2-yl)ethyl]pentane-1-sulfonamide?
The IUPAC name of 5-(2,4-dioxoimidazolidin-1-yl)-N-[1-(5-ethoxy-1H-imidazol-2-yl)ethyl]pentane-1-sulfonamide (CID 147072969) is 5-(2,4-dioxoimidazolidin-1-yl)-N-[1-(5-ethoxy-1H-imidazol-2-yl)ethyl]pentane-1-sulfonamide.
What is the SMILES notation for 5-(2,4-dioxoimidazolidin-1-yl)-N-[1-(5-ethoxy-1H-imidazol-2-yl)ethyl]pentane-1-sulfonamide?
The canonical SMILES for 5-(2,4-dioxoimidazolidin-1-yl)-N-[1-(5-ethoxy-1H-imidazol-2-yl)ethyl]pentane-1-sulfonamide is CCOc1cnc(C(C)NS(=O)(=O)CCCCCN2CC(=O)NC2=O)[nH]1.
What is the InChIKey of 5-(2,4-dioxoimidazolidin-1-yl)-N-[1-(5-ethoxy-1H-imidazol-2-yl)ethyl]pentane-1-sulfonamide?
The InChIKey is BFKHKINSVJMKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O5S/c1-3-25-13-9-16-14(18-13)11(2)19-26(23,24)8-6-4-5-7-20-10-12(21)17-15(20)22/h9,11,19H,3-8,10H2,1-2H3,(H,16,18)(H,17,21,22).
What are the key properties of 5-(2,4-dioxoimidazolidin-1-yl)-N-[1-(5-ethoxy-1H-imidazol-2-yl)ethyl]pentane-1-sulfonamide?
5-(2,4-dioxoimidazolidin-1-yl)-N-[1-(5-ethoxy-1H-imidazol-2-yl)ethyl]pentane-1-sulfonamide has a molecular weight of 387.46 g/mol, XLogP of 0.51, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dioxoimidazolidin-1-yl)-N-[1-(5-ethoxy-1H-imidazol-2-yl)ethyl]pentane-1-sulfonamide is sourced from PubChem (CID 147072969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).