1-(benzenesulfonyl)-N-[[4-(phenoxymethyl)phenyl]methyl]piperidine-4-carboxamide

C26H28N2O4S — CID 39508472

IUPAC1-(benzenesulfonyl)-N-[[4-(phenoxymethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccc(COc2ccccc2)cc1)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C26H28N2O4S/c29-26(23-15-17-28(18-16-23)33(30,31)25-9-5-2-6-10-25)27-19-21-11-13-22(14-12-21)20-32-24-7-3-1-4-8-24/h1-14,23H,15-20H2,(H,27,29)
InChIKeyPYDHQHFXPYNXKJ-UHFFFAOYSA-N
MW464.59 g/mol
LogP3.98
Rot. Bonds8

About 1-(benzenesulfonyl)-N-[[4-(phenoxymethyl)phenyl]methyl]piperidine-4-carboxamide

1-(benzenesulfonyl)-N-[[4-(phenoxymethyl)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 39508472) has the molecular formula C26H28N2O4S and a molecular weight of 464.59 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[[4-(phenoxymethyl)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[[4-(phenoxymethyl)phenyl]methyl]piperidine-4-carboxamide
PubChem CID39508472
Molecular FormulaC26H28N2O4S
Molecular Weight464.59 g/mol
Exact Mass464.18
IUPAC Name1-(benzenesulfonyl)-N-[[4-(phenoxymethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccc(COc2ccccc2)cc1)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C26H28N2O4S/c29-26(23-15-17-28(18-16-23)33(30,31)25-9-5-2-6-10-25)27-19-21-11-13-22(14-12-21)20-32-24-7-3-1-4-8-24/h1-14,23H,15-20H2,(H,27,29)
InChIKeyPYDHQHFXPYNXKJ-UHFFFAOYSA-N
XLogP3.98
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylphenyl)sulfonyl-N-[(4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 46590461
1-(benzenesulfonyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
CID 28561875
1-(benzenesulfonyl)-N-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide
CID 94002807
1-(benzenesulfonyl)-N-(3-phenoxypropyl)piperidine-4-carboxamide
CID 17478459
1-(benzenesulfonyl)-N-[(3-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide
CID 94108023
(4-phenylmethoxyphenyl) 1-(benzenesulfonyl)piperidine-4-carboxylate
CID 4784120
N-benzyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113003936
1-(benzenesulfonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 26444974
1-naphthalen-2-ylsulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
CID 43874904
(3S)-1-(benzenesulfonyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 28562114
1-(benzenesulfonyl)-N-[(4-imidazol-1-ylphenyl)methyl]piperidine-4-carboxamide
CID 100645070
1-(4-ethoxyphenyl)sulfonyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 16572122

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[[4-(phenoxymethyl)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[[4-(phenoxymethyl)phenyl]methyl]piperidine-4-carboxamide (CID 39508472) is 1-(benzenesulfonyl)-N-[[4-(phenoxymethyl)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[[4-(phenoxymethyl)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[[4-(phenoxymethyl)phenyl]methyl]piperidine-4-carboxamide is O=C(NCc1ccc(COc2ccccc2)cc1)C1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[[4-(phenoxymethyl)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is PYDHQHFXPYNXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4S/c29-26(23-15-17-28(18-16-23)33(30,31)25-9-5-2-6-10-25)27-19-21-11-13-22(14-12-21)20-32-24-7-3-1-4-8-24/h1-14,23H,15-20H2,(H,27,29).
What are the key properties of 1-(benzenesulfonyl)-N-[[4-(phenoxymethyl)phenyl]methyl]piperidine-4-carboxamide?
1-(benzenesulfonyl)-N-[[4-(phenoxymethyl)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 464.59 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[[4-(phenoxymethyl)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 39508472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).