4-chloro-N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-piperidin-1-ylsulfonylbenzamide

C18H23ClN4O5S — CID 41095890

IUPAC4-chloro-N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-piperidin-1-ylsulfonylbenzamide
SMILESCC[C@]1(C)NC(=O)N(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)C1=O
InChIInChI=1S/C18H23ClN4O5S/c1-3-18(2)16(25)23(17(26)20-18)21-15(24)12-7-8-13(19)14(11-12)29(27,28)22-9-5-4-6-10-22/h7-8,11H,3-6,9-10H2,1-2H3,(H,20,26)(H,21,24)/t18-/m0/s1
InChIKeyOKJUAZJJFRABKT-SFHVURJKSA-N
MW442.93 g/mol
LogP1.88
Rot. Bonds5

About 4-chloro-N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-piperidin-1-ylsulfonylbenzamide

4-chloro-N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 41095890) has the molecular formula C18H23ClN4O5S and a molecular weight of 442.93 g/mol. Its IUPAC name is 4-chloro-N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-piperidin-1-ylsulfonylbenzamide
PubChem CID41095890
Molecular FormulaC18H23ClN4O5S
Molecular Weight442.93 g/mol
Exact Mass442.11
IUPAC Name4-chloro-N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-piperidin-1-ylsulfonylbenzamide
SMILESCC[C@]1(C)NC(=O)N(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)C1=O
InChIInChI=1S/C18H23ClN4O5S/c1-3-18(2)16(25)23(17(26)20-18)21-15(24)12-7-8-13(19)14(11-12)29(27,28)22-9-5-4-6-10-22/h7-8,11H,3-6,9-10H2,1-2H3,(H,20,26)(H,21,24)/t18-/m0/s1
InChIKeyOKJUAZJJFRABKT-SFHVURJKSA-N
XLogP1.88
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.93
LogP ≤ 51.88
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

N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9172045
4-methyl-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 41209789
4-chloro-3-piperidin-1-ylsulfonyl-N-propan-2-ylbenzamide
CID 4806697
4-methyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-piperidin-1-ylsulfonylbenzamide
CID 16573972
3-(azepan-1-ylsulfonyl)-4-chloro-N-[(4-chlorophenyl)methyl]benzamide
CID 5155963
4-chloro-N-(4-fluorophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2704875
N-(4-acetamidophenyl)-4-chloro-3-piperidin-1-ylsulfonylbenzamide
CID 2583012
3-(azepan-1-ylsulfonyl)-4-chloro-N-[(2,5-diethylphenyl)methyl]benzamide
CID 100719790
4-chloro-N-cyclohexyl-3-piperidin-1-ylsulfonylbenzamide
CID 1068470
3-(azepan-1-ylsulfonyl)-4-chloro-N-cyclohexylbenzamide
CID 1216844
(2R,3R)-2-[(4-chloro-3-pyrrolidin-1-ylsulfonylbenzoyl)amino]-3-methylpentanoic acid
CID 41259616
N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 41083016

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of 4-chloro-N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-piperidin-1-ylsulfonylbenzamide (CID 41095890) is 4-chloro-N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 4-chloro-N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for 4-chloro-N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-piperidin-1-ylsulfonylbenzamide is CC[C@]1(C)NC(=O)N(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)C1=O.
What is the InChIKey of 4-chloro-N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is OKJUAZJJFRABKT-SFHVURJKSA-N. The full InChI is InChI=1S/C18H23ClN4O5S/c1-3-18(2)16(25)23(17(26)20-18)21-15(24)12-7-8-13(19)14(11-12)29(27,28)22-9-5-4-6-10-22/h7-8,11H,3-6,9-10H2,1-2H3,(H,20,26)(H,21,24)/t18-/m0/s1.
What are the key properties of 4-chloro-N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-piperidin-1-ylsulfonylbenzamide?
4-chloro-N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 442.93 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 41095890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).