N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide

C24H28N4O5S — CID 24542802

IUPACN-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCCC1(c2ccccc2)NC(=O)N(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C1=O
InChIInChI=1S/C24H28N4O5S/c1-3-24(19-7-5-4-6-8-19)22(30)28(23(31)25-24)26-21(29)18-13-15-27(16-14-18)34(32,33)20-11-9-17(2)10-12-20/h4-12,18H,3,13-16H2,1-2H3,(H,25,31)(H,26,29)
InChIKeyKFCASPKLXDCPOU-UHFFFAOYSA-N
MW484.58 g/mol
LogP2.28
Rot. Bonds6

About N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide

N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 24542802) has the molecular formula C24H28N4O5S and a molecular weight of 484.58 g/mol. Its IUPAC name is N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID24542802
Molecular FormulaC24H28N4O5S
Molecular Weight484.58 g/mol
Exact Mass484.18
IUPAC NameN-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCCC1(c2ccccc2)NC(=O)N(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C1=O
InChIInChI=1S/C24H28N4O5S/c1-3-24(19-7-5-4-6-8-19)22(30)28(23(31)25-24)26-21(29)18-13-15-27(16-14-18)34(32,33)20-11-9-17(2)10-12-20/h4-12,18H,3,13-16H2,1-2H3,(H,25,31)(H,26,29)
InChIKeyKFCASPKLXDCPOU-UHFFFAOYSA-N
XLogP2.28
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.58
LogP ≤ 52.28
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-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]piperidine-4-carboxamide
CID 9452261
1-(benzenesulfonyl)-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]piperidine-4-carboxamide
CID 41208727
1-(4-chlorophenyl)sulfonyl-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]piperidine-4-carboxamide
CID 41156656
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 3263041
N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 754867
3-cyclopentyl-N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]propanamide
CID 9293678
N-benzyl-1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]piperidine-4-carboxamide
CID 20968119
N-(4-anilinophenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 46652612
1-(4-methylphenyl)sulfonyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 8795286
N-(3,3-diphenylpropyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 26796402
N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 5389629
2-(4-acetylpiperazin-1-yl)-N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 43012938

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide (CID 24542802) is N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide is CCC1(c2ccccc2)NC(=O)N(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C1=O.
What is the InChIKey of N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is KFCASPKLXDCPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O5S/c1-3-24(19-7-5-4-6-8-19)22(30)28(23(31)25-24)26-21(29)18-13-15-27(16-14-18)34(32,33)20-11-9-17(2)10-12-20/h4-12,18H,3,13-16H2,1-2H3,(H,25,31)(H,26,29).
What are the key properties of N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 484.58 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 24542802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).