1-(benzenesulfonyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]piperidine-2-carboxamide

C24H25N3O3S2 — CID 55468628

IUPAC1-(benzenesulfonyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]piperidine-2-carboxamide
SMILESO=C(Nc1ccc(SCc2cccnc2)cc1)C1CCCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H25N3O3S2/c28-24(23-10-4-5-16-27(23)32(29,30)22-8-2-1-3-9-22)26-20-11-13-21(14-12-20)31-18-19-7-6-15-25-17-19/h1-3,6-9,11-15,17,23H,4-5,10,16,18H2,(H,26,28)
InChIKeyIYFDIWIUYGNEOG-UHFFFAOYSA-N
MW467.62 g/mol
LogP4.56
Rot. Bonds7

About 1-(benzenesulfonyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]piperidine-2-carboxamide

1-(benzenesulfonyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]piperidine-2-carboxamide (PubChem CID 55468628) has the molecular formula C24H25N3O3S2 and a molecular weight of 467.62 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]piperidine-2-carboxamide
PubChem CID55468628
Molecular FormulaC24H25N3O3S2
Molecular Weight467.62 g/mol
Exact Mass467.13
IUPAC Name1-(benzenesulfonyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]piperidine-2-carboxamide
SMILESO=C(Nc1ccc(SCc2cccnc2)cc1)C1CCCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H25N3O3S2/c28-24(23-10-4-5-16-27(23)32(29,30)22-8-2-1-3-9-22)26-20-11-13-21(14-12-20)31-18-19-7-6-15-25-17-19/h1-3,6-9,11-15,17,23H,4-5,10,16,18H2,(H,26,28)
InChIKeyIYFDIWIUYGNEOG-UHFFFAOYSA-N
XLogP4.56
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.62
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(benzenesulfonyl)-N-[4-(pyridin-4-ylmethyl)phenyl]piperidine-2-carboxamide
CID 112803511
2-methyl-5-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide
CID 36542393
1-(benzenesulfonyl)-N-(4-tert-butylphenyl)piperidine-2-carboxamide
CID 2928504
1-(benzenesulfonyl)-N-[4-(furan-2-carbonylamino)phenyl]piperidine-2-carboxamide
CID 55505334
1-(2-nitrophenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]piperidine-4-carboxamide
CID 46668940
1-(benzenesulfonyl)-N-(4-cyanophenyl)piperidine-2-carboxamide
CID 18077712
1,1-dioxo-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]thiolane-3-carboxamide
CID 55468735
(2S)-1-(4-bromophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-2-carboxamide
CID 30260766
methyl 4-[[(2R)-1-(benzenesulfonyl)piperidine-2-carbonyl]amino]benzoate
CID 8765077
2-cyclohexyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
CID 36542331
1-(4-bromophenyl)sulfonyl-N-phenylpiperidine-2-carboxamide
CID 24604772
1-(benzenesulfonyl)-N-benzylpiperidine-2-carboxamide
CID 4320284

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]piperidine-2-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]piperidine-2-carboxamide (CID 55468628) is 1-(benzenesulfonyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]piperidine-2-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]piperidine-2-carboxamide is O=C(Nc1ccc(SCc2cccnc2)cc1)C1CCCCN1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]piperidine-2-carboxamide?
The InChIKey is IYFDIWIUYGNEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S2/c28-24(23-10-4-5-16-27(23)32(29,30)22-8-2-1-3-9-22)26-20-11-13-21(14-12-20)31-18-19-7-6-15-25-17-19/h1-3,6-9,11-15,17,23H,4-5,10,16,18H2,(H,26,28).
What are the key properties of 1-(benzenesulfonyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]piperidine-2-carboxamide?
1-(benzenesulfonyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]piperidine-2-carboxamide has a molecular weight of 467.62 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 55468628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).