1-(benzenesulfonyl)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]piperidine-4-carboxamide

C26H28N2O4S — CID 25411571

IUPAC1-(benzenesulfonyl)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]piperidine-4-carboxamide
SMILESCOc1ccc([C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c2ccccc2)cc1
InChIInChI=1S/C26H28N2O4S/c1-32-23-14-12-21(13-15-23)25(20-8-4-2-5-9-20)27-26(29)22-16-18-28(19-17-22)33(30,31)24-10-6-3-7-11-24/h2-15,22,25H,16-19H2,1H3,(H,27,29)/t25-/m0/s1
InChIKeyLFFKCTDVCZFGOA-VWLOTQADSA-N
MW464.59 g/mol
LogP4.00
Rot. Bonds7

About 1-(benzenesulfonyl)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]piperidine-4-carboxamide

1-(benzenesulfonyl)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]piperidine-4-carboxamide (PubChem CID 25411571) has the molecular formula C26H28N2O4S and a molecular weight of 464.59 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]piperidine-4-carboxamide
PubChem CID25411571
Molecular FormulaC26H28N2O4S
Molecular Weight464.59 g/mol
Exact Mass464.18
IUPAC Name1-(benzenesulfonyl)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]piperidine-4-carboxamide
SMILESCOc1ccc([C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c2ccccc2)cc1
InChIInChI=1S/C26H28N2O4S/c1-32-23-14-12-21(13-15-23)25(20-8-4-2-5-9-20)27-26(29)22-16-18-28(19-17-22)33(30,31)24-10-6-3-7-11-24/h2-15,22,25H,16-19H2,1H3,(H,27,29)/t25-/m0/s1
InChIKeyLFFKCTDVCZFGOA-VWLOTQADSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(R)-(4-methoxyphenyl)-phenylmethyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 40966975
N-[(4-methoxyphenyl)-phenylmethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 55414462
1-(benzenesulfonyl)-N-[1-(4-methoxyphenoxy)propan-2-yl]piperidine-4-carboxamide
CID 133167037
N-[(4-ethoxyphenyl)-phenylmethyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 46441707
1-(3-acetylphenyl)sulfonyl-N-benzhydrylpiperidine-4-carboxamide
CID 26735300
[1-(benzenesulfonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 1438179
N-[(4-methylphenyl)-phenylmethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 43071749
1-(benzenesulfonyl)-N-benzhydrylpiperidine-3-carboxamide
CID 46438239
1-(4-methoxyphenyl)sulfonyl-N-[(2R)-1-methoxypropan-2-yl]piperidine-4-carboxamide
CID 7248361
1-(3-acetylphenyl)sulfonyl-N-[(R)-(4-methylphenyl)-phenylmethyl]piperidine-4-carboxamide
CID 40897728
N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 100654629
N-[1-(4-methoxyphenoxy)propan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 133167682

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]piperidine-4-carboxamide (CID 25411571) is 1-(benzenesulfonyl)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]piperidine-4-carboxamide is COc1ccc([C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c2ccccc2)cc1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]piperidine-4-carboxamide?
The InChIKey is LFFKCTDVCZFGOA-VWLOTQADSA-N. The full InChI is InChI=1S/C26H28N2O4S/c1-32-23-14-12-21(13-15-23)25(20-8-4-2-5-9-20)27-26(29)22-16-18-28(19-17-22)33(30,31)24-10-6-3-7-11-24/h2-15,22,25H,16-19H2,1H3,(H,27,29)/t25-/m0/s1.
What are the key properties of 1-(benzenesulfonyl)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]piperidine-4-carboxamide?
1-(benzenesulfonyl)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]piperidine-4-carboxamide has a molecular weight of 464.59 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]piperidine-4-carboxamide is sourced from PubChem (CID 25411571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).