1-(benzenesulfonyl)-N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]piperidine-4-carboxamide

C18H24N4O5S — CID 9452261

IUPAC1-(benzenesulfonyl)-N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]piperidine-4-carboxamide
SMILESCC[C@]1(C)NC(=O)N(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)C1=O
InChIInChI=1S/C18H24N4O5S/c1-3-18(2)16(24)22(17(25)19-18)20-15(23)13-9-11-21(12-10-13)28(26,27)14-7-5-4-6-8-14/h4-8,13H,3,9-12H2,1-2H3,(H,19,25)(H,20,23)/t18-/m0/s1
InChIKeyQOTMEZIAKIPCJR-SFHVURJKSA-N
MW408.48 g/mol
LogP0.84
Rot. Bonds5

About 1-(benzenesulfonyl)-N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]piperidine-4-carboxamide

1-(benzenesulfonyl)-N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]piperidine-4-carboxamide (PubChem CID 9452261) has the molecular formula C18H24N4O5S and a molecular weight of 408.48 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]piperidine-4-carboxamide
PubChem CID9452261
Molecular FormulaC18H24N4O5S
Molecular Weight408.48 g/mol
Exact Mass408.15
IUPAC Name1-(benzenesulfonyl)-N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]piperidine-4-carboxamide
SMILESCC[C@]1(C)NC(=O)N(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)C1=O
InChIInChI=1S/C18H24N4O5S/c1-3-18(2)16(24)22(17(25)19-18)20-15(23)13-9-11-21(12-10-13)28(26,27)14-7-5-4-6-8-14/h4-8,13H,3,9-12H2,1-2H3,(H,19,25)(H,20,23)/t18-/m0/s1
InChIKeyQOTMEZIAKIPCJR-SFHVURJKSA-N
XLogP0.84
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(benzenesulfonyl)-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]piperidine-4-carboxamide
CID 41208727
N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 24542802
1-(4-chlorophenyl)sulfonyl-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]piperidine-4-carboxamide
CID 41156656
1-(benzenesulfonyl)-N-[2-(ethylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 18110259
1-(benzenesulfonyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
CID 28561875
1-(benzenesulfonyl)-N-[2-(butanoylamino)phenyl]piperidine-4-carboxamide
CID 6498124
1-(benzenesulfonyl)-N-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide
CID 94002807
1-(benzenesulfonyl)-N-[2-(propylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 31288840
2-[benzyl(cyclopropyl)amino]-N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 34205258
1-(benzenesulfonyl)-N-(pyridin-1-ium-2-ylmethyl)piperidine-4-carboxamide
CID 5054302
N'-benzoyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carbohydrazide
CID 7809293
1-(benzenesulfonyl)-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]piperidine-4-carboxamide
CID 100644384

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]piperidine-4-carboxamide (CID 9452261) is 1-(benzenesulfonyl)-N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]piperidine-4-carboxamide is CC[C@]1(C)NC(=O)N(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)C1=O.
What is the InChIKey of 1-(benzenesulfonyl)-N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]piperidine-4-carboxamide?
The InChIKey is QOTMEZIAKIPCJR-SFHVURJKSA-N. The full InChI is InChI=1S/C18H24N4O5S/c1-3-18(2)16(24)22(17(25)19-18)20-15(23)13-9-11-21(12-10-13)28(26,27)14-7-5-4-6-8-14/h4-8,13H,3,9-12H2,1-2H3,(H,19,25)(H,20,23)/t18-/m0/s1.
What are the key properties of 1-(benzenesulfonyl)-N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]piperidine-4-carboxamide?
1-(benzenesulfonyl)-N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]piperidine-4-carboxamide has a molecular weight of 408.48 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]piperidine-4-carboxamide is sourced from PubChem (CID 9452261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).