1-(4-fluorophenyl)sulfonyl-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]piperidine-3-carboxamide

C23H23FN2O3S3 — CID 24514591

IUPAC1-(4-fluorophenyl)sulfonyl-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1SCc1ccsc1)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C23H23FN2O3S3/c24-19-7-9-20(10-8-19)32(28,29)26-12-3-4-18(14-26)23(27)25-21-5-1-2-6-22(21)31-16-17-11-13-30-15-17/h1-2,5-11,13,15,18H,3-4,12,14,16H2,(H,25,27)
InChIKeyOPLBPULAGQBWCE-UHFFFAOYSA-N
MW490.65 g/mol
LogP5.22
Rot. Bonds7

About 1-(4-fluorophenyl)sulfonyl-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]piperidine-3-carboxamide

1-(4-fluorophenyl)sulfonyl-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]piperidine-3-carboxamide (PubChem CID 24514591) has the molecular formula C23H23FN2O3S3 and a molecular weight of 490.65 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]piperidine-3-carboxamide
PubChem CID24514591
Molecular FormulaC23H23FN2O3S3
Molecular Weight490.65 g/mol
Exact Mass490.09
IUPAC Name1-(4-fluorophenyl)sulfonyl-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1SCc1ccsc1)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C23H23FN2O3S3/c24-19-7-9-20(10-8-19)32(28,29)26-12-3-4-18(14-26)23(27)25-21-5-1-2-6-22(21)31-16-17-11-13-30-15-17/h1-2,5-11,13,15,18H,3-4,12,14,16H2,(H,25,27)
InChIKeyOPLBPULAGQBWCE-UHFFFAOYSA-N
XLogP5.22
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.65
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 100670784
(3R)-N-(2-ethylsulfanylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 100669876
1-(4-fluorophenyl)sulfonyl-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]piperidine-3-carboxamide
CID 24502025
1-(4-fluorobenzoyl)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]piperidine-4-carboxamide
CID 24514557
(3R)-1-(benzenesulfonyl)-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide
CID 94624120
(3S)-1-(4-fluorophenyl)sulfonyl-N-(2-methylphenyl)piperidine-3-carboxamide
CID 7371815
1-(4-fluorophenyl)sulfonyl-N-[2-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 133168195
N-[2-(cyclohexylcarbamoyl)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 133168196
1-(benzenesulfonyl)-N-(2,5-difluorophenyl)piperidine-3-carboxamide
CID 43872856
N-[2-(dimethylsulfamoyl)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 55984969
(3R)-1-(4-fluorophenyl)sulfonyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide
CID 41242824
N-(1-acetyl-2,3-dihydroindol-4-yl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 167840298

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]piperidine-3-carboxamide (CID 24514591) is 1-(4-fluorophenyl)sulfonyl-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]piperidine-3-carboxamide is O=C(Nc1ccccc1SCc1ccsc1)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]piperidine-3-carboxamide?
The InChIKey is OPLBPULAGQBWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O3S3/c24-19-7-9-20(10-8-19)32(28,29)26-12-3-4-18(14-26)23(27)25-21-5-1-2-6-22(21)31-16-17-11-13-30-15-17/h1-2,5-11,13,15,18H,3-4,12,14,16H2,(H,25,27).
What are the key properties of 1-(4-fluorophenyl)sulfonyl-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]piperidine-3-carboxamide?
1-(4-fluorophenyl)sulfonyl-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]piperidine-3-carboxamide has a molecular weight of 490.65 g/mol, XLogP of 5.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 24514591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).