1-(4-fluorophenyl)sulfonyl-N-(4-methylcyclohexyl)-5-oxopyrrolidine-2-carboxamide

C18H23FN2O4S — CID 53008162

IUPAC1-(4-fluorophenyl)sulfonyl-N-(4-methylcyclohexyl)-5-oxopyrrolidine-2-carboxamide
SMILESCC1CCC(NC(=O)C2CCC(=O)N2S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H23FN2O4S/c1-12-2-6-14(7-3-12)20-18(23)16-10-11-17(22)21(16)26(24,25)15-8-4-13(19)5-9-15/h4-5,8-9,12,14,16H,2-3,6-7,10-11H2,1H3,(H,20,23)
InChIKeyIDZKEWRYOXNJOI-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.20
Rot. Bonds4

About 1-(4-fluorophenyl)sulfonyl-N-(4-methylcyclohexyl)-5-oxopyrrolidine-2-carboxamide

1-(4-fluorophenyl)sulfonyl-N-(4-methylcyclohexyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 53008162) has the molecular formula C18H23FN2O4S and a molecular weight of 382.46 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-N-(4-methylcyclohexyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-N-(4-methylcyclohexyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID53008162
Molecular FormulaC18H23FN2O4S
Molecular Weight382.46 g/mol
Exact Mass382.14
IUPAC Name1-(4-fluorophenyl)sulfonyl-N-(4-methylcyclohexyl)-5-oxopyrrolidine-2-carboxamide
SMILESCC1CCC(NC(=O)C2CCC(=O)N2S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H23FN2O4S/c1-12-2-6-14(7-3-12)20-18(23)16-10-11-17(22)21(16)26(24,25)15-8-4-13(19)5-9-15/h4-5,8-9,12,14,16H,2-3,6-7,10-11H2,1H3,(H,20,23)
InChIKeyIDZKEWRYOXNJOI-UHFFFAOYSA-N
XLogP2.20
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-cyclopropyl-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
CID 27260603
1-(benzenesulfonyl)-N-cycloheptyl-5-oxopyrrolidine-2-carboxamide
CID 110387732
(2S)-N-cyclooctyl-1-(3,4-dimethylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
CID 95074305
(2S)-1-(4-fluorophenyl)sulfonyl-N-(2-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 93072370
N-cyclopropyl-1-methylsulfonyl-5-oxopyrrolidine-2-carboxamide
CID 110387755
(2R)-N-(2-fluorophenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
CID 92712425
1-(4-chlorophenyl)sulfonyl-5-oxopyrrolidine-2-carbohydrazide
CID 4767736
(2S)-N-cyclopentyl-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
CID 92865510
ethyl 3-[[(2R)-1-(4-fluorophenyl)sulfonyl-5-oxopyrrolidine-2-carbonyl]amino]benzoate
CID 93059322
(2S)-N-(3-fluoro-4-methylphenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
CID 93072342
N-cyclopentyl-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 110373858
(2R)-N-(3,5-dimethoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
CID 1093265

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-(4-methylcyclohexyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-(4-methylcyclohexyl)-5-oxopyrrolidine-2-carboxamide (CID 53008162) is 1-(4-fluorophenyl)sulfonyl-N-(4-methylcyclohexyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-N-(4-methylcyclohexyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-N-(4-methylcyclohexyl)-5-oxopyrrolidine-2-carboxamide is CC1CCC(NC(=O)C2CCC(=O)N2S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-N-(4-methylcyclohexyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is IDZKEWRYOXNJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O4S/c1-12-2-6-14(7-3-12)20-18(23)16-10-11-17(22)21(16)26(24,25)15-8-4-13(19)5-9-15/h4-5,8-9,12,14,16H,2-3,6-7,10-11H2,1H3,(H,20,23).
What are the key properties of 1-(4-fluorophenyl)sulfonyl-N-(4-methylcyclohexyl)-5-oxopyrrolidine-2-carboxamide?
1-(4-fluorophenyl)sulfonyl-N-(4-methylcyclohexyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-N-(4-methylcyclohexyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 53008162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).