(2R)-N-(2-ethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide

C20H23FN2O3S — CID 92865512

IUPAC(2R)-N-(2-ethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
SMILESCCc1ccccc1NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C20H23FN2O3S/c1-2-15-7-3-4-8-18(15)22-20(24)19-9-5-6-14-23(19)27(25,26)17-12-10-16(21)11-13-17/h3-4,7-8,10-13,19H,2,5-6,9,14H2,1H3,(H,22,24)/t19-/m1/s1
InChIKeyURTDCLUTBBOABV-LJQANCHMSA-N
MW390.48 g/mol
LogP3.57
Rot. Bonds5

About (2R)-N-(2-ethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide

(2R)-N-(2-ethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide (PubChem CID 92865512) has the molecular formula C20H23FN2O3S and a molecular weight of 390.48 g/mol. Its IUPAC name is (2R)-N-(2-ethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-ethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
PubChem CID92865512
Molecular FormulaC20H23FN2O3S
Molecular Weight390.48 g/mol
Exact Mass390.14
IUPAC Name(2R)-N-(2-ethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
SMILESCCc1ccccc1NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C20H23FN2O3S/c1-2-15-7-3-4-8-18(15)22-20(24)19-9-5-6-14-23(19)27(25,26)17-12-10-16(21)11-13-17/h3-4,7-8,10-13,19H,2,5-6,9,14H2,1H3,(H,22,24)/t19-/m1/s1
InChIKeyURTDCLUTBBOABV-LJQANCHMSA-N
XLogP3.57
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)sulfonyl-N-(2-ethylphenyl)pyrrolidine-2-carboxamide
CID 84834429
(2R)-N-(4-fluorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
CID 92865516
(2R)-N-(3-chloro-2-methylphenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 51684558
(2S)-N-(3-acetamido-2-methylphenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 24673596
(2S)-1-(4-fluorophenyl)sulfonyl-N'-(2-phenylacetyl)piperidine-2-carbohydrazide
CID 57118359
(2S)-N-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 8744138
(2S)-1-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperidine-2-carboxamide
CID 92887637
1-(benzenesulfonyl)-N-(2-ethyl-6-methylphenyl)piperidine-2-carboxamide
CID 5003756
(2R)-N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 9401319
(2S)-1-(4-fluorophenyl)sulfonyl-N-(2-oxopropyl)piperidine-2-carboxamide
CID 57063766
1-(4-chlorophenyl)sulfonyl-N-(2-methylphenyl)piperidine-2-carboxamide
CID 50762317
(2S)-N-cyclopentyl-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
CID 92865510

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-ethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide?
The IUPAC name of (2R)-N-(2-ethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide (CID 92865512) is (2R)-N-(2-ethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(2-ethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide?
The canonical SMILES for (2R)-N-(2-ethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide is CCc1ccccc1NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of (2R)-N-(2-ethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide?
The InChIKey is URTDCLUTBBOABV-LJQANCHMSA-N. The full InChI is InChI=1S/C20H23FN2O3S/c1-2-15-7-3-4-8-18(15)22-20(24)19-9-5-6-14-23(19)27(25,26)17-12-10-16(21)11-13-17/h3-4,7-8,10-13,19H,2,5-6,9,14H2,1H3,(H,22,24)/t19-/m1/s1.
What are the key properties of (2R)-N-(2-ethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide?
(2R)-N-(2-ethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide has a molecular weight of 390.48 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-ethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 92865512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).