1-(4-fluorophenyl)sulfonyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide

C20H23FN2O3S2 — CID 46286356

IUPAC1-(4-fluorophenyl)sulfonyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide
SMILESCSc1ccc(CNC(=O)C2CCCCN2S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H23FN2O3S2/c1-27-17-9-5-15(6-10-17)14-22-20(24)19-4-2-3-13-23(19)28(25,26)18-11-7-16(21)8-12-18/h5-12,19H,2-4,13-14H2,1H3,(H,22,24)
InChIKeyFNDICHMQRWOWEY-UHFFFAOYSA-N
MW422.55 g/mol
LogP3.41
Rot. Bonds6

About 1-(4-fluorophenyl)sulfonyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide

1-(4-fluorophenyl)sulfonyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide (PubChem CID 46286356) has the molecular formula C20H23FN2O3S2 and a molecular weight of 422.55 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide
PubChem CID46286356
Molecular FormulaC20H23FN2O3S2
Molecular Weight422.55 g/mol
Exact Mass422.11
IUPAC Name1-(4-fluorophenyl)sulfonyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide
SMILESCSc1ccc(CNC(=O)C2CCCCN2S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H23FN2O3S2/c1-27-17-9-5-15(6-10-17)14-22-20(24)19-4-2-3-13-23(19)28(25,26)18-11-7-16(21)8-12-18/h5-12,19H,2-4,13-14H2,1H3,(H,22,24)
InChIKeyFNDICHMQRWOWEY-UHFFFAOYSA-N
XLogP3.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
CID 50762391
1-(4-bromophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 24617176
(2S)-1-(4-fluorophenyl)sulfonyl-N-(2-oxopropyl)piperidine-2-carboxamide
CID 57063766
(2S)-N-benzyl-1-(4-ethylphenyl)sulfonylpiperidine-2-carboxamide
CID 101173679
1-(benzenesulfonyl)-N-benzylpiperidine-2-carboxamide
CID 4320284
1-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]piperidine-2-carboxamide
CID 4669339
methyl 3-[[1-(4-fluorophenyl)sulfonylpiperidine-2-carbonyl]amino]propanoate
CID 53263010
N-[(3-cyclopropylphenyl)methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 70941491
(2R)-N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 9401319
1-(4-bromophenyl)sulfonyl-N-[(4-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 24617269
N-[(3-ethoxy-5-fluorophenyl)methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 70941519
(2R)-1-(4-fluorophenyl)sulfonyl-N-[(3-methyloxetan-3-yl)methyl]piperidine-2-carboxamide
CID 92626037

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide (CID 46286356) is 1-(4-fluorophenyl)sulfonyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide is CSc1ccc(CNC(=O)C2CCCCN2S(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide?
The InChIKey is FNDICHMQRWOWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3S2/c1-27-17-9-5-15(6-10-17)14-22-20(24)19-4-2-3-13-23(19)28(25,26)18-11-7-16(21)8-12-18/h5-12,19H,2-4,13-14H2,1H3,(H,22,24).
What are the key properties of 1-(4-fluorophenyl)sulfonyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide?
1-(4-fluorophenyl)sulfonyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide has a molecular weight of 422.55 g/mol, XLogP of 3.41, 6 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-methylsulfanylphenyl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 46286356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).