1-phenyl-N-(2-phenylsulfanylphenyl)piperidine-4-carboxamide

C24H24N2OS — CID 17152506

IUPAC1-phenyl-N-(2-phenylsulfanylphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccccc1Sc1ccccc1)C1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H24N2OS/c27-24(19-15-17-26(18-16-19)20-9-3-1-4-10-20)25-22-13-7-8-14-23(22)28-21-11-5-2-6-12-21/h1-14,19H,15-18H2,(H,25,27)
InChIKeyUESWJZBJJPNZBJ-UHFFFAOYSA-N
MW388.54 g/mol
LogP5.69
Rot. Bonds5

About 1-phenyl-N-(2-phenylsulfanylphenyl)piperidine-4-carboxamide

1-phenyl-N-(2-phenylsulfanylphenyl)piperidine-4-carboxamide (PubChem CID 17152506) has the molecular formula C24H24N2OS and a molecular weight of 388.54 g/mol. Its IUPAC name is 1-phenyl-N-(2-phenylsulfanylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-(2-phenylsulfanylphenyl)piperidine-4-carboxamide
PubChem CID17152506
Molecular FormulaC24H24N2OS
Molecular Weight388.54 g/mol
Exact Mass388.16
IUPAC Name1-phenyl-N-(2-phenylsulfanylphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccccc1Sc1ccccc1)C1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H24N2OS/c27-24(19-15-17-26(18-16-19)20-9-3-1-4-10-20)25-22-13-7-8-14-23(22)28-21-11-5-2-6-12-21/h1-14,19H,15-18H2,(H,25,27)
InChIKeyUESWJZBJJPNZBJ-UHFFFAOYSA-N
XLogP5.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.54
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-oxo-N-(2-phenylsulfanylphenyl)-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
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(3R)-5-oxo-1-phenyl-N-(2-phenylsulfanylphenyl)pyrrolidine-3-carboxamide
CID 9350723
(1S,2S,3S,4S)-3-[(2-phenylsulfanylphenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 98297529
(1S,2R,3S,4S)-3-[(2-phenylsulfanylphenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 100732356
1-(3,5-dimethoxybenzoyl)-N-(2-phenylsulfanylphenyl)piperidine-4-carboxamide
CID 55759173
3-amino-N-(2-phenylsulfanylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119674872
N-(2-butan-2-ylphenyl)-1-phenylpiperidine-4-carboxamide
CID 17152438
N-(2-methoxyphenyl)-1-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]piperidine-4-carboxamide
CID 37177063
1-phenyl-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide
CID 17152279
1-(2,5-dimethylphenyl)sulfonyl-N-(2-phenylsulfanylphenyl)piperidine-4-carboxamide
CID 100780650
(1R,2S,3R,4R)-3-[(2-phenylsulfanylphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 98310934
1-[(3-methoxyphenyl)methyl]-N-(2-phenylsulfanylphenyl)piperidine-4-carboxamide
CID 38095087

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(2-phenylsulfanylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-phenyl-N-(2-phenylsulfanylphenyl)piperidine-4-carboxamide (CID 17152506) is 1-phenyl-N-(2-phenylsulfanylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-phenyl-N-(2-phenylsulfanylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-phenyl-N-(2-phenylsulfanylphenyl)piperidine-4-carboxamide is O=C(Nc1ccccc1Sc1ccccc1)C1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-phenyl-N-(2-phenylsulfanylphenyl)piperidine-4-carboxamide?
The InChIKey is UESWJZBJJPNZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2OS/c27-24(19-15-17-26(18-16-19)20-9-3-1-4-10-20)25-22-13-7-8-14-23(22)28-21-11-5-2-6-12-21/h1-14,19H,15-18H2,(H,25,27).
What are the key properties of 1-phenyl-N-(2-phenylsulfanylphenyl)piperidine-4-carboxamide?
1-phenyl-N-(2-phenylsulfanylphenyl)piperidine-4-carboxamide has a molecular weight of 388.54 g/mol, XLogP of 5.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(2-phenylsulfanylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 17152506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).