1-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-6-phenylpiperidine-3-carboxamide

C26H28N2O4S — CID 67246912

IUPAC1-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-6-phenylpiperidine-3-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCC(c3ccccc3)N(S(=O)(=O)c3ccccc3)C2)cc1
InChIInChI=1S/C26H28N2O4S/c1-32-23-15-12-20(13-16-23)18-27-26(29)22-14-17-25(21-8-4-2-5-9-21)28(19-22)33(30,31)24-10-6-3-7-11-24/h2-13,15-16,22,25H,14,17-19H2,1H3,(H,27,29)
InChIKeyAFTLOQSZQUOPGV-UHFFFAOYSA-N
MW464.59 g/mol
LogP4.15
Rot. Bonds7

About 1-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-6-phenylpiperidine-3-carboxamide

1-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-6-phenylpiperidine-3-carboxamide (PubChem CID 67246912) has the molecular formula C26H28N2O4S and a molecular weight of 464.59 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-6-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-6-phenylpiperidine-3-carboxamide
PubChem CID67246912
Molecular FormulaC26H28N2O4S
Molecular Weight464.59 g/mol
Exact Mass464.18
IUPAC Name1-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-6-phenylpiperidine-3-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCC(c3ccccc3)N(S(=O)(=O)c3ccccc3)C2)cc1
InChIInChI=1S/C26H28N2O4S/c1-32-23-15-12-20(13-16-23)18-27-26(29)22-14-17-25(21-8-4-2-5-9-21)28(19-22)33(30,31)24-10-6-3-7-11-24/h2-13,15-16,22,25H,14,17-19H2,1H3,(H,27,29)
InChIKeyAFTLOQSZQUOPGV-UHFFFAOYSA-N
XLogP4.15
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-[[[(3R,6R)-1-(benzenesulfonyl)-6-phenylpiperidine-3-carbonyl]amino]methyl]phenyl]carbamate
CID 53246721
(3R,6R)-N-benzyl-6-phenyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 53245887
4-(benzenesulfonamidomethyl)-N-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 5323358
(3S)-1-(4-methoxyphenyl)sulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 94861827
(2S)-1-(benzenesulfonyl)-2-(4-methoxyphenyl)azepane
CID 38257339
(2R)-1-(benzenesulfonyl)-2-(4-methoxyphenyl)azepane
CID 38257342
N-benzyl-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46109695
(2S)-N-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 2311229
(2S)-1-(4-chlorophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 1468641
(3R)-1-(benzenesulfonyl)-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide
CID 100659745
(3R)-1-(4-methoxyphenyl)sulfonyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 94861830
(3S)-1-(4-methoxyphenyl)sulfonyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 94861829

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-6-phenylpiperidine-3-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-6-phenylpiperidine-3-carboxamide (CID 67246912) is 1-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-6-phenylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-6-phenylpiperidine-3-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-6-phenylpiperidine-3-carboxamide is COc1ccc(CNC(=O)C2CCC(c3ccccc3)N(S(=O)(=O)c3ccccc3)C2)cc1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-6-phenylpiperidine-3-carboxamide?
The InChIKey is AFTLOQSZQUOPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4S/c1-32-23-15-12-20(13-16-23)18-27-26(29)22-14-17-25(21-8-4-2-5-9-21)28(19-22)33(30,31)24-10-6-3-7-11-24/h2-13,15-16,22,25H,14,17-19H2,1H3,(H,27,29).
What are the key properties of 1-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-6-phenylpiperidine-3-carboxamide?
1-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-6-phenylpiperidine-3-carboxamide has a molecular weight of 464.59 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-6-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 67246912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).