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

C22H24N4O5S — CID 41208727

IUPAC1-(benzenesulfonyl)-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]piperidine-4-carboxamide
SMILESC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)C1=O
InChIInChI=1S/C22H24N4O5S/c1-22(17-8-4-2-5-9-17)20(28)26(21(29)23-22)24-19(27)16-12-14-25(15-13-16)32(30,31)18-10-6-3-7-11-18/h2-11,16H,12-15H2,1H3,(H,23,29)(H,24,27)/t22-/m0/s1
InChIKeyHDOQBKRZAJGIIV-QFIPXVFZSA-N
MW456.52 g/mol
LogP1.59
Rot. Bonds5

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

1-(benzenesulfonyl)-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]piperidine-4-carboxamide (PubChem CID 41208727) has the molecular formula C22H24N4O5S and a molecular weight of 456.52 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]piperidine-4-carboxamide
PubChem CID41208727
Molecular FormulaC22H24N4O5S
Molecular Weight456.52 g/mol
Exact Mass456.15
IUPAC Name1-(benzenesulfonyl)-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]piperidine-4-carboxamide
SMILESC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)C1=O
InChIInChI=1S/C22H24N4O5S/c1-22(17-8-4-2-5-9-17)20(28)26(21(29)23-22)24-19(27)16-12-14-25(15-13-16)32(30,31)18-10-6-3-7-11-18/h2-11,16H,12-15H2,1H3,(H,23,29)(H,24,27)/t22-/m0/s1
InChIKeyHDOQBKRZAJGIIV-QFIPXVFZSA-N
XLogP1.59
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.52
LogP ≤ 51.59
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-(4-chlorophenyl)sulfonyl-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]piperidine-4-carboxamide
CID 41156656
1-(benzenesulfonyl)-N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]piperidine-4-carboxamide
CID 9452261
N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 41203446
N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 24542802
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]piperidine-4-carboxamide
CID 31397276
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 41214600
1-(benzenesulfonyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide
CID 8831496
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-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 23826158
1-(benzenesulfonyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 6498125
1-(benzenesulfonyl)-N-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]piperidine-4-carboxamide
CID 82253153

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]piperidine-4-carboxamide (CID 41208727) is 1-(benzenesulfonyl)-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]piperidine-4-carboxamide is C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)C1=O.
What is the InChIKey of 1-(benzenesulfonyl)-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]piperidine-4-carboxamide?
The InChIKey is HDOQBKRZAJGIIV-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H24N4O5S/c1-22(17-8-4-2-5-9-17)20(28)26(21(29)23-22)24-19(27)16-12-14-25(15-13-16)32(30,31)18-10-6-3-7-11-18/h2-11,16H,12-15H2,1H3,(H,23,29)(H,24,27)/t22-/m0/s1.
What are the key properties of 1-(benzenesulfonyl)-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]piperidine-4-carboxamide?
1-(benzenesulfonyl)-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]piperidine-4-carboxamide has a molecular weight of 456.52 g/mol, XLogP of 1.59, 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-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]piperidine-4-carboxamide is sourced from PubChem (CID 41208727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).