1-[2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoyl]-N-phenylpiperidine-4-carboxamide

C24H28N2O3S — CID 32913637

IUPAC1-[2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoyl]-N-phenylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN(C(=O)c2ccccc2SC[C@H]2CCCO2)CC1
InChIInChI=1S/C24H28N2O3S/c27-23(25-19-7-2-1-3-8-19)18-12-14-26(15-13-18)24(28)21-10-4-5-11-22(21)30-17-20-9-6-16-29-20/h1-5,7-8,10-11,18,20H,6,9,12-17H2,(H,25,27)/t20-/m1/s1
InChIKeyFTOZOXWIIARHOR-HXUWFJFHSA-N
MW424.57 g/mol
LogP4.45
Rot. Bonds6

About 1-[2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoyl]-N-phenylpiperidine-4-carboxamide

1-[2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoyl]-N-phenylpiperidine-4-carboxamide (PubChem CID 32913637) has the molecular formula C24H28N2O3S and a molecular weight of 424.57 g/mol. Its IUPAC name is 1-[2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoyl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoyl]-N-phenylpiperidine-4-carboxamide
PubChem CID32913637
Molecular FormulaC24H28N2O3S
Molecular Weight424.57 g/mol
Exact Mass424.18
IUPAC Name1-[2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoyl]-N-phenylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN(C(=O)c2ccccc2SC[C@H]2CCCO2)CC1
InChIInChI=1S/C24H28N2O3S/c27-23(25-19-7-2-1-3-8-19)18-12-14-26(15-13-18)24(28)21-10-4-5-11-22(21)30-17-20-9-6-16-29-20/h1-5,7-8,10-11,18,20H,6,9,12-17H2,(H,25,27)/t20-/m1/s1
InChIKeyFTOZOXWIIARHOR-HXUWFJFHSA-N
XLogP4.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-dichlorophenyl)-[1-[2-(oxolan-2-ylmethylsulfanyl)benzoyl]piperidin-4-yl]methanone
CID 55956771
(4-methoxyphenyl)-[1-[2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoyl]piperidin-4-yl]methanone
CID 33183550
2-(oxolan-2-ylmethylsulfanyl)-N-[4-(phenylcarbamoylamino)phenyl]benzamide
CID 24676894
N-[4-(azepan-1-yl)phenyl]-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 9328245
N-(4-acetamidophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 9042411
N-[4-(methylcarbamoylamino)phenyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 55524091
[4-(1,1-dioxothiolan-3-yl)sulfonylpiperazin-1-yl]-[2-(oxolan-2-ylmethylsulfanyl)phenyl]methanone
CID 55814155
[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 2-(oxolan-2-ylmethylsulfanyl)benzoate
CID 55425589
4-[4-[2-(oxolan-2-ylmethylsulfanyl)benzoyl]-1,4-diazepan-1-yl]benzonitrile
CID 55720990
N-(3-bromophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 9042785
2-[[(2S)-oxolan-2-yl]methylsulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)benzamide
CID 40986092
1-(2-fluorobenzoyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 17019005

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoyl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoyl]-N-phenylpiperidine-4-carboxamide (CID 32913637) is 1-[2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoyl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoyl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoyl]-N-phenylpiperidine-4-carboxamide is O=C(Nc1ccccc1)C1CCN(C(=O)c2ccccc2SC[C@H]2CCCO2)CC1.
What is the InChIKey of 1-[2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoyl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is FTOZOXWIIARHOR-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H28N2O3S/c27-23(25-19-7-2-1-3-8-19)18-12-14-26(15-13-18)24(28)21-10-4-5-11-22(21)30-17-20-9-6-16-29-20/h1-5,7-8,10-11,18,20H,6,9,12-17H2,(H,25,27)/t20-/m1/s1.
What are the key properties of 1-[2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoyl]-N-phenylpiperidine-4-carboxamide?
1-[2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoyl]-N-phenylpiperidine-4-carboxamide has a molecular weight of 424.57 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoyl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 32913637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).